Showing NP-Card for Laterocidine (NP0018591)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 03:15:46 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:28:38 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0018591 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Laterocidine | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Laterocidine is found in Bacillus and Brevibacillus laterosporus. Laterocidine was first documented in 2018 (PMID: 30115920). Based on a literature review very few articles have been published on Laterocidine (PMID: 34338512). | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0018591 (Laterocidine)
Mrv1652307042107413D
228233 0 0 0 0 999 V2000
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111226 1 0 0 0 0
111227 1 0 0 0 0
113228 1 0 0 0 0
M END
3D MOL for NP0018591 (Laterocidine)
RDKit 3D
228233 0 0 0 0 0 0 0 0999 V2000
3.2159 5.3919 4.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 6.0501 2.7442 C 0 0 0 0 0 0 0 0 0 0 0 0
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113228 1 0
M END
3D SDF for NP0018591 (Laterocidine)
Mrv1652307042107413D
228233 0 0 0 0 999 V2000
3.2159 5.3919 4.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 6.0501 2.7442 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3889 6.1496 1.8059 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2528 6.9211 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0019 4.8534 1.1293 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6629 3.8661 2.1186 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 2.5125 2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1295 2.0258 3.3609 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2419 1.5801 1.0842 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5396 0.8613 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2283 0.4228 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 0.7130 -1.0232 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4500 -0.3125 0.0464 C 0 0 2 0 0 0 0 0 0 0 0 0
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7.0661 -1.1653 2.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9965 -0.8645 4.2591 N 0 0 0 0 0 0 0 0 0 0 0 0
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104105 1 0 0 0 0
105106 1 0 0 0 0
106107 2 0 0 0 0
106108 1 0 0 0 0
108109 1 0 0 0 0
109110 1 0 0 0 0
110111 1 0 0 0 0
110112 2 0 0 0 0
108113 1 0 0 0 0
113114 1 0 0 0 0
114115 2 0 0 0 0
114 5 1 0 0 0 0
23 15 1 0 0 0 0
65 57 1 0 0 0 0
77 71 1 0 0 0 0
23 18 1 0 0 0 0
65 60 1 0 0 0 0
1116 1 0 0 0 0
1117 1 0 0 0 0
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2119 1 0 0 0 0
2120 1 0 0 0 0
3121 1 6 0 0 0
4122 1 0 0 0 0
4123 1 0 0 0 0
4124 1 0 0 0 0
5125 1 6 0 0 0
6126 1 0 0 0 0
9127 1 6 0 0 0
10128 1 0 0 0 0
13129 1 1 0 0 0
14130 1 0 0 0 0
14131 1 0 0 0 0
16132 1 0 0 0 0
17133 1 0 0 0 0
19134 1 0 0 0 0
20135 1 0 0 0 0
21136 1 0 0 0 0
22137 1 0 0 0 0
24138 1 0 0 0 0
27139 1 6 0 0 0
28140 1 0 0 0 0
28141 1 0 0 0 0
29142 1 0 0 0 0
29143 1 0 0 0 0
30144 1 0 0 0 0
30145 1 0 0 0 0
31146 1 0 0 0 0
31147 1 0 0 0 0
32148 1 0 0 0 0
35149 1 0 0 0 0
35150 1 0 0 0 0
36151 1 0 0 0 0
39152 1 6 0 0 0
40153 1 0 0 0 0
40154 1 0 0 0 0
41155 1 0 0 0 0
41156 1 0 0 0 0
42157 1 0 0 0 0
42158 1 0 0 0 0
43159 1 0 0 0 0
43160 1 0 0 0 0
44161 1 0 0 0 0
47162 1 6 0 0 0
48163 1 0 0 0 0
48164 1 0 0 0 0
49165 1 0 0 0 0
49166 1 0 0 0 0
50167 1 0 0 0 0
50168 1 0 0 0 0
51169 1 0 0 0 0
51170 1 0 0 0 0
52171 1 0 0 0 0
55172 1 6 0 0 0
56173 1 0 0 0 0
56174 1 0 0 0 0
58175 1 0 0 0 0
59176 1 0 0 0 0
61177 1 0 0 0 0
62178 1 0 0 0 0
63179 1 0 0 0 0
64180 1 0 0 0 0
66181 1 0 0 0 0
69182 1 6 0 0 0
70183 1 0 0 0 0
70184 1 0 0 0 0
72185 1 0 0 0 0
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76188 1 0 0 0 0
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87197 1 0 0 0 0
88198 1 0 0 0 0
88199 1 0 0 0 0
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90203 1 0 0 0 0
91204 1 0 0 0 0
91205 1 0 0 0 0
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93209 1 0 0 0 0
94210 1 0 0 0 0
94211 1 0 0 0 0
94212 1 0 0 0 0
95213 1 6 0 0 0
96214 1 0 0 0 0
96215 1 0 0 0 0
96216 1 0 0 0 0
100217 1 0 0 0 0
100218 1 0 0 0 0
101219 1 0 0 0 0
104220 1 0 0 0 0
104221 1 0 0 0 0
105222 1 0 0 0 0
108223 1 1 0 0 0
109224 1 0 0 0 0
109225 1 0 0 0 0
111226 1 0 0 0 0
111227 1 0 0 0 0
113228 1 0 0 0 0
M END
> <DATABASE_ID>
NP0018591
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12
> <INCHI_IDENTIFIER>
InChI=1S/C78H113N19O18/c1-6-44(4)67-77(113)95-60(36-62(82)100)70(106)86-39-64(102)85-41-66(104)115-45(5)68(78(114)96-67)97-75(111)59(35-48-38-84-53-21-13-11-19-51(48)53)93-71(107)55(23-15-31-80)88-65(103)40-87-69(105)54(22-14-30-79)90-72(108)56(24-16-32-81)91-74(110)58(34-47-37-83-52-20-12-10-18-50(47)52)94-73(109)57(33-46-26-28-49(99)29-27-46)92-76(112)61(42-98)89-63(101)25-9-7-8-17-43(2)3/h10-13,18-21,26-29,37-38,43-45,54-61,67-68,83-84,98-99H,6-9,14-17,22-25,30-36,39-42,79-81H2,1-5H3,(H2,82,100)(H,85,102)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,108)(H,91,110)(H,92,112)(H,93,107)(H,94,109)(H,95,113)(H,96,114)(H,97,111)/t44-,45+,54-,55+,56+,57+,58+,59-,60-,61+,67-,68-/m0/s1
> <INCHI_KEY>
MIUUXMLKAKRFMK-PCBFYWCHSA-N
> <FORMULA>
C78H113N19O18
> <MOLECULAR_WEIGHT>
1604.877
> <EXACT_MASS>
1603.851097875
> <JCHEM_ACCEPTOR_COUNT>
20
> <JCHEM_ATOM_COUNT>
228
> <JCHEM_AVERAGE_POLARIZABILITY>
168.3307724884803
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
21
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-4-amino-1-{[(1S)-4-amino-1-[({[(1R)-4-amino-1-{[(1S)-1-{[(9S,12S,15S,16R)-12-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-7-methyloctanamide
> <JCHEM_LOGP>
-4.722409294996091
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
3
> <JCHEM_PKA>
10.521355808656763
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.957193708288719
> <JCHEM_PKA_STRONGEST_BASIC>
10.050335778707876
> <JCHEM_POLAR_SURFACE_AREA>
597.79
> <JCHEM_REFRACTIVITY>
417.8214000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
43
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-4-amino-1-{[(1S)-4-amino-1-[({[(1R)-4-amino-1-{[(1S)-1-{[(9S,12S,15S,16R)-12-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-7-methyloctanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0018591 (Laterocidine)
RDKit 3D
228233 0 0 0 0 0 0 0 0999 V2000
3.2159 5.3919 4.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5471 6.0501 2.7442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3889 6.1496 1.8059 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2528 6.9211 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0019 4.8534 1.1293 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6629 3.8661 2.1186 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 2.5125 2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1295 2.0258 3.3609 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2419 1.5801 1.0842 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5396 0.8613 1.2340 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2283 0.4228 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 0.7130 -1.0232 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4500 -0.3125 0.0464 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7031 0.0137 0.7238 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7526 0.0053 2.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0661 -1.1653 2.9618 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9965 -0.8645 4.2591 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6595 0.4274 4.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4900 1.1786 5.5694 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1652 2.5009 5.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0131 3.0600 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1851 2.2921 3.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5157 0.9391 3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7327 -0.7655 -1.3559 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8127 -2.1181 -1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6443 -2.8860 -0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0447 -2.8464 -2.8599 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3373 -2.6237 -3.5519 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6323 -1.2178 -3.9721 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5786 -0.6710 -4.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9659 0.6772 -5.2642 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8663 -4.2909 -2.5785 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6352 -4.8733 -2.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7639 -4.1780 -3.5000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2718 -6.3002 -2.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9343 -6.5071 -3.0476 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0922 -7.5976 -2.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5876 -8.4512 -1.9073 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -7.7068 -3.1929 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4595 -6.8301 -4.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 -7.2644 -5.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1478 -6.3977 -6.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3968 -4.9887 -6.4344 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2004 -7.6487 -2.0627 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 -7.0660 -2.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8091 -6.5664 -3.2204 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4667 -6.8625 -1.0320 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1050 -7.4425 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0245 -8.9455 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5988 -9.4803 1.5219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2914 -8.9088 1.8139 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8760 -5.4955 -0.9949 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1296 -5.0188 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0120 -5.8021 -0.2076 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4354 -3.5467 -0.6432 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1379 -3.1489 -1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3990 -3.4316 -3.1568 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5667 -2.5910 -3.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0681 -3.2544 -4.9369 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5294 -4.5192 -4.9402 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3105 -5.5626 -5.8004 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9317 -6.7888 -5.5817 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7575 -6.9264 -4.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9737 -5.8684 -3.6319 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3666 -4.6334 -3.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1418 -3.0640 0.5019 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6648 -1.9842 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5951 -1.4250 0.9378 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4112 -1.4615 2.4835 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6156 -2.6213 3.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3240 -2.3736 4.6464 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6931 -2.4975 4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3854 -2.3062 5.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6377 -1.9791 7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2826 -1.7754 8.2536 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2622 -1.8468 6.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6320 -2.0483 5.7832 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7068 -0.3434 3.0430 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9939 0.9891 2.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9391 1.1490 1.8451 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3816 2.2098 3.1951 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.1446 1.8441 4.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7838 3.0499 4.6830 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1248 3.2249 2.2362 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2313 4.5942 2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5572 5.0280 3.6355 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9510 5.6325 1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7145 7.0024 2.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4825 7.9335 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1760 9.3204 1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0057 10.3626 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9688 10.2505 -0.7641 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0736 9.0698 -1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5470 10.2876 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1461 0.4869 1.0789 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2158 -0.2072 2.4173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 1.0879 0.9331 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0059 0.9513 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8973 1.8462 -0.1863 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0373 -0.1583 -1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0507 -0.1806 -1.9868 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2697 0.7245 -3.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6906 0.2683 -4.1708 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0503 2.1856 -2.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1261 2.8281 -3.7285 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1081 3.6725 -3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2550 3.6677 -3.7016 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8121 4.5108 -1.9570 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3348 5.8983 -2.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1106 5.7807 -3.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1521 5.7897 -2.5891 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1658 5.6709 -4.4711 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0369 4.7013 -1.1950 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0930 4.4657 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1035 3.9115 0.6735 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4098 4.3158 3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9388 5.7590 4.8662 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2160 5.5696 4.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4111 5.5139 2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9702 7.0555 3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7876 6.8541 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6955 7.6224 3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8135 7.5920 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4968 6.2469 2.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0606 5.0868 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0513 4.2452 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 1.9931 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8985 0.7049 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2222 -1.3911 0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4671 -0.7590 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0935 1.0280 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3147 -2.1153 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1803 -1.5263 5.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6176 0.7427 6.5525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0276 3.1286 6.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7685 4.1032 4.0974 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0660 2.7198 2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8336 -0.0078 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1995 -2.5957 -3.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1616 -2.9095 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3614 -3.3209 -4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8072 -0.5063 -3.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5842 -1.2374 -4.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4182 -1.3135 -5.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6270 -0.5891 -4.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0813 1.1986 -5.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6541 0.7163 -6.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6054 -4.8653 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2555 -6.3389 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0129 -7.0054 -2.9785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -5.7685 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6027 -8.7590 -3.6709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5627 -7.0513 -4.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5169 -5.7532 -4.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4358 -7.3306 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 -8.3131 -5.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -6.6819 -7.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1095 -6.4768 -7.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3348 -4.8636 -6.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4525 -4.5412 -7.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1947 -8.0637 -1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 -7.4147 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8087 -7.1259 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1089 -7.0509 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -9.2889 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1102 -9.2493 -0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 -9.1203 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5866 -10.5825 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2380 -8.7514 2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4208 -9.5919 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0018591 (Laterocidine)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 3.216 5.392 4.072 0.00 0.00 C+0 HETATM 2 C UNK 0 3.547 6.050 2.744 0.00 0.00 C+0 HETATM 3 C UNK 0 2.389 6.150 1.806 0.00 0.00 C+0 HETATM 4 C UNK 0 1.253 6.921 2.390 0.00 0.00 C+0 HETATM 5 C UNK 0 2.002 4.853 1.129 0.00 0.00 C+0 HETATM 6 N UNK 0 1.663 3.866 2.119 0.00 0.00 N+0 HETATM 7 C UNK 0 2.006 2.513 2.170 0.00 0.00 C+0 HETATM 8 O UNK 0 2.130 2.026 3.361 0.00 0.00 O+0 HETATM 9 C UNK 0 2.242 1.580 1.084 0.00 0.00 C+0 HETATM 10 N UNK 0 3.540 0.861 1.234 0.00 0.00 N+0 HETATM 11 C UNK 0 4.228 0.423 0.119 0.00 0.00 C+0 HETATM 12 O UNK 0 3.677 0.713 -1.023 0.00 0.00 O+0 HETATM 13 C UNK 0 5.450 -0.313 0.046 0.00 0.00 C+0 HETATM 14 C UNK 0 6.703 0.014 0.724 0.00 0.00 C+0 HETATM 15 C UNK 0 6.753 0.005 2.191 0.00 0.00 C+0 HETATM 16 C UNK 0 7.066 -1.165 2.962 0.00 0.00 C+0 HETATM 17 N UNK 0 6.997 -0.865 4.259 0.00 0.00 N+0 HETATM 18 C UNK 0 6.660 0.427 4.412 0.00 0.00 C+0 HETATM 19 C UNK 0 6.490 1.179 5.569 0.00 0.00 C+0 HETATM 20 C UNK 0 6.165 2.501 5.442 0.00 0.00 C+0 HETATM 21 C UNK 0 6.013 3.060 4.195 0.00 0.00 C+0 HETATM 22 C UNK 0 6.185 2.292 3.041 0.00 0.00 C+0 HETATM 23 C UNK 0 6.516 0.939 3.144 0.00 0.00 C+0 HETATM 24 N UNK 0 5.733 -0.766 -1.356 0.00 0.00 N+0 HETATM 25 C UNK 0 5.813 -2.118 -1.609 0.00 0.00 C+0 HETATM 26 O UNK 0 5.644 -2.886 -0.572 0.00 0.00 O+0 HETATM 27 C UNK 0 6.045 -2.846 -2.860 0.00 0.00 C+0 HETATM 28 C UNK 0 7.337 -2.624 -3.552 0.00 0.00 C+0 HETATM 29 C UNK 0 7.632 -1.218 -3.972 0.00 0.00 C+0 HETATM 30 C UNK 0 6.579 -0.671 -4.921 0.00 0.00 C+0 HETATM 31 N UNK 0 6.966 0.677 -5.264 0.00 0.00 N+0 HETATM 32 N UNK 0 5.866 -4.291 -2.579 0.00 0.00 N+0 HETATM 33 C UNK 0 4.635 -4.873 -2.920 0.00 0.00 C+0 HETATM 34 O UNK 0 3.764 -4.178 -3.500 0.00 0.00 O+0 HETATM 35 C UNK 0 4.272 -6.300 -2.611 0.00 0.00 C+0 HETATM 36 N UNK 0 2.934 -6.507 -3.048 0.00 0.00 N+0 HETATM 37 C UNK 0 2.092 -7.598 -2.694 0.00 0.00 C+0 HETATM 38 O UNK 0 2.588 -8.451 -1.907 0.00 0.00 O+0 HETATM 39 C UNK 0 0.695 -7.707 -3.193 0.00 0.00 C+0 HETATM 40 C UNK 0 0.460 -6.830 -4.374 0.00 0.00 C+0 HETATM 41 C UNK 0 1.396 -7.264 -5.513 0.00 0.00 C+0 HETATM 42 C UNK 0 1.148 -6.398 -6.700 0.00 0.00 C+0 HETATM 43 N UNK 0 1.397 -4.989 -6.434 0.00 0.00 N+0 HETATM 44 N UNK 0 -0.200 -7.649 -2.063 0.00 0.00 N+0 HETATM 45 C UNK 0 -1.446 -7.066 -2.077 0.00 0.00 C+0 HETATM 46 O UNK 0 -1.809 -6.566 -3.220 0.00 0.00 O+0 HETATM 47 C UNK 0 -2.467 -6.862 -1.032 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.105 -7.442 0.265 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.025 -8.945 0.176 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.599 -9.480 1.522 0.00 0.00 C+0 HETATM 51 N UNK 0 -0.291 -8.909 1.814 0.00 0.00 N+0 HETATM 52 N UNK 0 -2.876 -5.495 -0.995 0.00 0.00 N+0 HETATM 53 C UNK 0 -4.130 -5.019 -0.601 0.00 0.00 C+0 HETATM 54 O UNK 0 -5.012 -5.802 -0.208 0.00 0.00 O+0 HETATM 55 C UNK 0 -4.435 -3.547 -0.643 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.138 -3.149 -1.930 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.399 -3.432 -3.157 0.00 0.00 C+0 HETATM 58 C UNK 0 -3.567 -2.591 -3.892 0.00 0.00 C+0 HETATM 59 N UNK 0 -3.068 -3.254 -4.937 0.00 0.00 N+0 HETATM 60 C UNK 0 -3.529 -4.519 -4.940 0.00 0.00 C+0 HETATM 61 C UNK 0 -3.311 -5.563 -5.800 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.932 -6.789 -5.582 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.758 -6.926 -4.496 0.00 0.00 C+0 HETATM 64 C UNK 0 -4.974 -5.868 -3.632 0.00 0.00 C+0 HETATM 65 C UNK 0 -4.367 -4.633 -3.823 0.00 0.00 C+0 HETATM 66 N UNK 0 -5.142 -3.064 0.502 0.00 0.00 N+0 HETATM 67 C UNK 0 -4.665 -1.984 1.261 0.00 0.00 C+0 HETATM 68 O UNK 0 -3.595 -1.425 0.938 0.00 0.00 O+0 HETATM 69 C UNK 0 -5.411 -1.462 2.483 0.00 0.00 C+0 HETATM 70 C UNK 0 -5.616 -2.621 3.385 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.324 -2.374 4.646 0.00 0.00 C+0 HETATM 72 C UNK 0 -7.693 -2.498 4.727 0.00 0.00 C+0 HETATM 73 C UNK 0 -8.385 -2.306 5.908 0.00 0.00 C+0 HETATM 74 C UNK 0 -7.638 -1.979 7.032 0.00 0.00 C+0 HETATM 75 O UNK 0 -8.283 -1.775 8.254 0.00 0.00 O+0 HETATM 76 C UNK 0 -6.262 -1.847 6.978 0.00 0.00 C+0 HETATM 77 C UNK 0 -5.632 -2.048 5.783 0.00 0.00 C+0 HETATM 78 N UNK 0 -4.707 -0.343 3.043 0.00 0.00 N+0 HETATM 79 C UNK 0 -4.994 0.989 2.711 0.00 0.00 C+0 HETATM 80 O UNK 0 -5.939 1.149 1.845 0.00 0.00 O+0 HETATM 81 C UNK 0 -4.382 2.210 3.195 0.00 0.00 C+0 HETATM 82 C UNK 0 -3.145 1.844 4.032 0.00 0.00 C+0 HETATM 83 O UNK 0 -2.784 3.050 4.683 0.00 0.00 O+0 HETATM 84 N UNK 0 -4.125 3.225 2.236 0.00 0.00 N+0 HETATM 85 C UNK 0 -4.231 4.594 2.518 0.00 0.00 C+0 HETATM 86 O UNK 0 -4.557 5.028 3.636 0.00 0.00 O+0 HETATM 87 C UNK 0 -3.951 5.633 1.472 0.00 0.00 C+0 HETATM 88 C UNK 0 -3.715 7.002 2.064 0.00 0.00 C+0 HETATM 89 C UNK 0 -3.482 7.934 0.851 0.00 0.00 C+0 HETATM 90 C UNK 0 -3.176 9.320 1.294 0.00 0.00 C+0 HETATM 91 C UNK 0 -3.006 10.363 0.272 0.00 0.00 C+0 HETATM 92 C UNK 0 -1.969 10.251 -0.764 0.00 0.00 C+0 HETATM 93 C UNK 0 -2.074 9.070 -1.672 0.00 0.00 C+0 HETATM 94 C UNK 0 -0.547 10.288 -0.238 0.00 0.00 C+0 HETATM 95 C UNK 0 1.146 0.487 1.079 0.00 0.00 C+0 HETATM 96 C UNK 0 1.216 -0.207 2.417 0.00 0.00 C+0 HETATM 97 O UNK 0 -0.092 1.088 0.933 0.00 0.00 O+0 HETATM 98 C UNK 0 -1.006 0.951 -0.079 0.00 0.00 C+0 HETATM 99 O UNK 0 -1.897 1.846 -0.186 0.00 0.00 O+0 HETATM 100 C UNK 0 -1.037 -0.158 -1.059 0.00 0.00 C+0 HETATM 101 N UNK 0 0.051 -0.181 -1.987 0.00 0.00 N+0 HETATM 102 C UNK 0 0.270 0.725 -3.055 0.00 0.00 C+0 HETATM 103 O UNK 0 0.691 0.268 -4.171 0.00 0.00 O+0 HETATM 104 C UNK 0 0.050 2.186 -2.993 0.00 0.00 C+0 HETATM 105 N UNK 0 1.126 2.828 -3.728 0.00 0.00 N+0 HETATM 106 C UNK 0 2.108 3.672 -3.145 0.00 0.00 C+0 HETATM 107 O UNK 0 3.255 3.668 -3.702 0.00 0.00 O+0 HETATM 108 C UNK 0 1.812 4.511 -1.957 0.00 0.00 C+0 HETATM 109 C UNK 0 1.335 5.898 -2.413 0.00 0.00 C+0 HETATM 110 C UNK 0 0.111 5.781 -3.229 0.00 0.00 C+0 HETATM 111 N UNK 0 -1.152 5.790 -2.589 0.00 0.00 N+0 HETATM 112 O UNK 0 0.166 5.671 -4.471 0.00 0.00 O+0 HETATM 113 N UNK 0 3.037 4.701 -1.195 0.00 0.00 N+0 HETATM 114 C UNK 0 3.093 4.466 0.211 0.00 0.00 C+0 HETATM 115 O UNK 0 4.104 3.912 0.674 0.00 0.00 O+0 HETATM 116 H UNK 0 3.410 4.316 3.986 0.00 0.00 H+0 HETATM 117 H UNK 0 3.939 5.759 4.866 0.00 0.00 H+0 HETATM 118 H UNK 0 2.216 5.570 4.441 0.00 0.00 H+0 HETATM 119 H UNK 0 4.411 5.514 2.278 0.00 0.00 H+0 HETATM 120 H UNK 0 3.970 7.056 3.010 0.00 0.00 H+0 HETATM 121 H UNK 0 2.788 6.854 0.971 0.00 0.00 H+0 HETATM 122 H UNK 0 1.696 7.622 3.160 0.00 0.00 H+0 HETATM 123 H UNK 0 0.814 7.592 1.627 0.00 0.00 H+0 HETATM 124 H UNK 0 0.497 6.247 2.848 0.00 0.00 H+0 HETATM 125 H UNK 0 1.061 5.087 0.519 0.00 0.00 H+0 HETATM 126 H UNK 0 1.051 4.245 2.905 0.00 0.00 H+0 HETATM 127 H UNK 0 2.158 1.993 0.049 0.00 0.00 H+0 HETATM 128 H UNK 0 3.898 0.705 2.190 0.00 0.00 H+0 HETATM 129 H UNK 0 5.222 -1.391 0.526 0.00 0.00 H+0 HETATM 130 H UNK 0 7.467 -0.759 0.397 0.00 0.00 H+0 HETATM 131 H UNK 0 7.093 1.028 0.349 0.00 0.00 H+0 HETATM 132 H UNK 0 7.315 -2.115 2.530 0.00 0.00 H+0 HETATM 133 H UNK 0 7.180 -1.526 5.049 0.00 0.00 H+0 HETATM 134 H UNK 0 6.618 0.743 6.553 0.00 0.00 H+0 HETATM 135 H UNK 0 6.028 3.129 6.327 0.00 0.00 H+0 HETATM 136 H UNK 0 5.769 4.103 4.097 0.00 0.00 H+0 HETATM 137 H UNK 0 6.066 2.720 2.070 0.00 0.00 H+0 HETATM 138 H UNK 0 5.834 -0.008 -2.033 0.00 0.00 H+0 HETATM 139 H UNK 0 5.199 -2.596 -3.570 0.00 0.00 H+0 HETATM 140 H UNK 0 8.162 -2.910 -2.833 0.00 0.00 H+0 HETATM 141 H UNK 0 7.361 -3.321 -4.427 0.00 0.00 H+0 HETATM 142 H UNK 0 7.807 -0.506 -3.178 0.00 0.00 H+0 HETATM 143 H UNK 0 8.584 -1.237 -4.579 0.00 0.00 H+0 HETATM 144 H UNK 0 6.418 -1.313 -5.802 0.00 0.00 H+0 HETATM 145 H UNK 0 5.627 -0.589 -4.341 0.00 0.00 H+0 HETATM 146 H UNK 0 6.081 1.199 -5.461 0.00 0.00 H+0 HETATM 147 H UNK 0 7.654 0.716 -6.042 0.00 0.00 H+0 HETATM 148 H UNK 0 6.605 -4.865 -2.149 0.00 0.00 H+0 HETATM 149 H UNK 0 4.255 -6.339 -1.474 0.00 0.00 H+0 HETATM 150 H UNK 0 5.013 -7.005 -2.978 0.00 0.00 H+0 HETATM 151 H UNK 0 2.501 -5.769 -3.681 0.00 0.00 H+0 HETATM 152 H UNK 0 0.603 -8.759 -3.671 0.00 0.00 H+0 HETATM 153 H UNK 0 -0.563 -7.051 -4.801 0.00 0.00 H+0 HETATM 154 H UNK 0 0.517 -5.753 -4.185 0.00 0.00 H+0 HETATM 155 H UNK 0 2.436 -7.331 -5.268 0.00 0.00 H+0 HETATM 156 H UNK 0 1.058 -8.313 -5.751 0.00 0.00 H+0 HETATM 157 H UNK 0 1.809 -6.682 -7.540 0.00 0.00 H+0 HETATM 158 H UNK 0 0.110 -6.477 -7.089 0.00 0.00 H+0 HETATM 159 H UNK 0 2.335 -4.864 -6.001 0.00 0.00 H+0 HETATM 160 H UNK 0 1.452 -4.541 -7.393 0.00 0.00 H+0 HETATM 161 H UNK 0 0.195 -8.064 -1.181 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.418 -7.415 -1.426 0.00 0.00 H+0 HETATM 163 H UNK 0 -2.809 -7.126 1.078 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.109 -7.051 0.638 0.00 0.00 H+0 HETATM 165 H UNK 0 -1.468 -9.289 -0.670 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.110 -9.249 -0.021 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.362 -9.120 2.257 0.00 0.00 H+0 HETATM 168 H UNK 0 -1.587 -10.582 1.458 0.00 0.00 H+0 HETATM 169 H UNK 0 -0.238 -8.751 2.829 0.00 0.00 H+0 HETATM 170 H UNK 0 0.421 -9.592 1.470 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.159 -4.752 -1.306 0.00 0.00 H+0 HETATM 172 H UNK 0 -3.446 -3.037 -0.675 0.00 0.00 H+0 HETATM 173 H UNK 0 -6.104 -3.743 -1.920 0.00 0.00 H+0 HETATM 174 H UNK 0 -5.359 -2.072 -1.884 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.356 -1.580 -3.651 0.00 0.00 H+0 HETATM 176 H UNK 0 -2.396 -2.863 -5.668 0.00 0.00 H+0 HETATM 177 H UNK 0 -2.644 -5.439 -6.661 0.00 0.00 H+0 HETATM 178 H UNK 0 -3.717 -7.580 -6.293 0.00 0.00 H+0 HETATM 179 H UNK 0 -5.240 -7.869 -4.317 0.00 0.00 H+0 HETATM 180 H UNK 0 -5.664 -6.026 -2.791 0.00 0.00 H+0 HETATM 181 H UNK 0 -6.041 -3.519 0.777 0.00 0.00 H+0 HETATM 182 H UNK 0 -6.402 -1.136 2.061 0.00 0.00 H+0 HETATM 183 H UNK 0 -6.095 -3.475 2.814 0.00 0.00 H+0 HETATM 184 H UNK 0 -4.626 -3.097 3.694 0.00 0.00 H+0 HETATM 185 H UNK 0 -8.296 -2.750 3.857 0.00 0.00 H+0 HETATM 186 H UNK 0 -9.473 -2.403 5.990 0.00 0.00 H+0 HETATM 187 H UNK 0 -7.727 -1.540 9.060 0.00 0.00 H+0 HETATM 188 H UNK 0 -5.689 -1.576 7.877 0.00 0.00 H+0 HETATM 189 H UNK 0 -4.528 -1.951 5.748 0.00 0.00 H+0 HETATM 190 H UNK 0 -3.943 -0.532 3.727 0.00 0.00 H+0 HETATM 191 H UNK 0 -5.046 2.708 3.990 0.00 0.00 H+0 HETATM 192 H UNK 0 -3.440 1.157 4.845 0.00 0.00 H+0 HETATM 193 H UNK 0 -2.300 1.518 3.428 0.00 0.00 H+0 HETATM 194 H UNK 0 -3.260 3.177 5.530 0.00 0.00 H+0 HETATM 195 H UNK 0 -3.849 2.945 1.286 0.00 0.00 H+0 HETATM 196 H UNK 0 -3.041 5.373 0.880 0.00 0.00 H+0 HETATM 197 H UNK 0 -4.779 5.736 0.748 0.00 0.00 H+0 HETATM 198 H UNK 0 -4.620 7.394 2.564 0.00 0.00 H+0 HETATM 199 H UNK 0 -2.816 7.052 2.681 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.616 7.478 0.339 0.00 0.00 H+0 HETATM 201 H UNK 0 -4.347 7.893 0.178 0.00 0.00 H+0 HETATM 202 H UNK 0 -2.227 9.289 1.913 0.00 0.00 H+0 HETATM 203 H UNK 0 -3.963 9.697 2.020 0.00 0.00 H+0 HETATM 204 H UNK 0 -2.868 11.393 0.759 0.00 0.00 H+0 HETATM 205 H UNK 0 -4.001 10.444 -0.276 0.00 0.00 H+0 HETATM 206 H UNK 0 -2.052 11.173 -1.408 0.00 0.00 H+0 HETATM 207 H UNK 0 -3.081 8.653 -1.633 0.00 0.00 H+0 HETATM 208 H UNK 0 -1.804 9.392 -2.720 0.00 0.00 H+0 HETATM 209 H UNK 0 -1.333 8.319 -1.378 0.00 0.00 H+0 HETATM 210 H UNK 0 -0.477 10.586 0.807 0.00 0.00 H+0 HETATM 211 H UNK 0 0.080 10.982 -0.842 0.00 0.00 H+0 HETATM 212 H UNK 0 -0.095 9.262 -0.301 0.00 0.00 H+0 HETATM 213 H UNK 0 1.381 -0.268 0.295 0.00 0.00 H+0 HETATM 214 H UNK 0 0.554 0.257 3.184 0.00 0.00 H+0 HETATM 215 H UNK 0 2.245 -0.206 2.861 0.00 0.00 H+0 HETATM 216 H UNK 0 0.831 -1.262 2.327 0.00 0.00 H+0 HETATM 217 H UNK 0 -2.022 -0.171 -1.621 0.00 0.00 H+0 HETATM 218 H UNK 0 -1.097 -1.107 -0.458 0.00 0.00 H+0 HETATM 219 H UNK 0 0.777 -0.950 -1.881 0.00 0.00 H+0 HETATM 220 H UNK 0 -0.042 2.557 -1.970 0.00 0.00 H+0 HETATM 221 H UNK 0 -0.936 2.376 -3.506 0.00 0.00 H+0 HETATM 222 H UNK 0 1.160 2.636 -4.763 0.00 0.00 H+0 HETATM 223 H UNK 0 1.029 4.047 -1.317 0.00 0.00 H+0 HETATM 224 H UNK 0 1.270 6.587 -1.570 0.00 0.00 H+0 HETATM 225 H UNK 0 2.140 6.289 -3.069 0.00 0.00 H+0 HETATM 226 H UNK 0 -2.045 6.079 -3.001 0.00 0.00 H+0 HETATM 227 H UNK 0 -1.210 5.469 -1.572 0.00 0.00 H+0 HETATM 228 H UNK 0 3.870 5.019 -1.723 0.00 0.00 H+0 CONECT 1 2 116 117 118 CONECT 2 1 3 119 120 CONECT 3 2 4 5 121 CONECT 4 3 122 123 124 CONECT 5 3 6 114 125 CONECT 6 5 7 126 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 95 127 CONECT 10 9 11 128 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 24 129 CONECT 14 13 15 130 131 CONECT 15 14 16 23 CONECT 16 15 17 132 CONECT 17 16 18 133 CONECT 18 17 19 23 CONECT 19 18 20 134 CONECT 20 19 21 135 CONECT 21 20 22 136 CONECT 22 21 23 137 CONECT 23 22 15 18 CONECT 24 13 25 138 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 32 139 CONECT 28 27 29 140 141 CONECT 29 28 30 142 143 CONECT 30 29 31 144 145 CONECT 31 30 146 147 CONECT 32 27 33 148 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 149 150 CONECT 36 35 37 151 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 44 152 CONECT 40 39 41 153 154 CONECT 41 40 42 155 156 CONECT 42 41 43 157 158 CONECT 43 42 159 160 CONECT 44 39 45 161 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 52 162 CONECT 48 47 49 163 164 CONECT 49 48 50 165 166 CONECT 50 49 51 167 168 CONECT 51 50 169 170 CONECT 52 47 53 171 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 66 172 CONECT 56 55 57 173 174 CONECT 57 56 58 65 CONECT 58 57 59 175 CONECT 59 58 60 176 CONECT 60 59 61 65 CONECT 61 60 62 177 CONECT 62 61 63 178 CONECT 63 62 64 179 CONECT 64 63 65 180 CONECT 65 64 57 60 CONECT 66 55 67 181 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 78 182 CONECT 70 69 71 183 184 CONECT 71 70 72 77 CONECT 72 71 73 185 CONECT 73 72 74 186 CONECT 74 73 75 76 CONECT 75 74 187 CONECT 76 74 77 188 CONECT 77 76 71 189 CONECT 78 69 79 190 CONECT 79 78 80 81 CONECT 80 79 CONECT 81 79 82 84 191 CONECT 82 81 83 192 193 CONECT 83 82 194 CONECT 84 81 85 195 CONECT 85 84 86 87 CONECT 86 85 CONECT 87 85 88 196 197 CONECT 88 87 89 198 199 CONECT 89 88 90 200 201 CONECT 90 89 91 202 203 CONECT 91 90 92 204 205 CONECT 92 91 93 94 206 CONECT 93 92 207 208 209 CONECT 94 92 210 211 212 CONECT 95 9 96 97 213 CONECT 96 95 214 215 216 CONECT 97 95 98 CONECT 98 97 99 100 CONECT 99 98 CONECT 100 98 101 217 218 CONECT 101 100 102 219 CONECT 102 101 103 104 CONECT 103 102 CONECT 104 102 105 220 221 CONECT 105 104 106 222 CONECT 106 105 107 108 CONECT 107 106 CONECT 108 106 109 113 223 CONECT 109 108 110 224 225 CONECT 110 109 111 112 CONECT 111 110 226 227 CONECT 112 110 CONECT 113 108 114 228 CONECT 114 113 115 5 CONECT 115 114 CONECT 116 1 CONECT 117 1 CONECT 118 1 CONECT 119 2 CONECT 120 2 CONECT 121 3 CONECT 122 4 CONECT 123 4 CONECT 124 4 CONECT 125 5 CONECT 126 6 CONECT 127 9 CONECT 128 10 CONECT 129 13 CONECT 130 14 CONECT 131 14 CONECT 132 16 CONECT 133 17 CONECT 134 19 CONECT 135 20 CONECT 136 21 CONECT 137 22 CONECT 138 24 CONECT 139 27 CONECT 140 28 CONECT 141 28 CONECT 142 29 CONECT 143 29 CONECT 144 30 CONECT 145 30 CONECT 146 31 CONECT 147 31 CONECT 148 32 CONECT 149 35 CONECT 150 35 CONECT 151 36 CONECT 152 39 CONECT 153 40 CONECT 154 40 CONECT 155 41 CONECT 156 41 CONECT 157 42 CONECT 158 42 CONECT 159 43 CONECT 160 43 CONECT 161 44 CONECT 162 47 CONECT 163 48 CONECT 164 48 CONECT 165 49 CONECT 166 49 CONECT 167 50 CONECT 168 50 CONECT 169 51 CONECT 170 51 CONECT 171 52 CONECT 172 55 CONECT 173 56 CONECT 174 56 CONECT 175 58 CONECT 176 59 CONECT 177 61 CONECT 178 62 CONECT 179 63 CONECT 180 64 CONECT 181 66 CONECT 182 69 CONECT 183 70 CONECT 184 70 CONECT 185 72 CONECT 186 73 CONECT 187 75 CONECT 188 76 CONECT 189 77 CONECT 190 78 CONECT 191 81 CONECT 192 82 CONECT 193 82 CONECT 194 83 CONECT 195 84 CONECT 196 87 CONECT 197 87 CONECT 198 88 CONECT 199 88 CONECT 200 89 CONECT 201 89 CONECT 202 90 CONECT 203 90 CONECT 204 91 CONECT 205 91 CONECT 206 92 CONECT 207 93 CONECT 208 93 CONECT 209 93 CONECT 210 94 CONECT 211 94 CONECT 212 94 CONECT 213 95 CONECT 214 96 CONECT 215 96 CONECT 216 96 CONECT 217 100 CONECT 218 100 CONECT 219 101 CONECT 220 104 CONECT 221 104 CONECT 222 105 CONECT 223 108 CONECT 224 109 CONECT 225 109 CONECT 226 111 CONECT 227 111 CONECT 228 113 MASTER 0 0 0 0 0 0 0 0 228 0 466 0 END SMILES for NP0018591 (Laterocidine)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12 INCHI for NP0018591 (Laterocidine)InChI=1S/C78H113N19O18/c1-6-44(4)67-77(113)95-60(36-62(82)100)70(106)86-39-64(102)85-41-66(104)115-45(5)68(78(114)96-67)97-75(111)59(35-48-38-84-53-21-13-11-19-51(48)53)93-71(107)55(23-15-31-80)88-65(103)40-87-69(105)54(22-14-30-79)90-72(108)56(24-16-32-81)91-74(110)58(34-47-37-83-52-20-12-10-18-50(47)52)94-73(109)57(33-46-26-28-49(99)29-27-46)92-76(112)61(42-98)89-63(101)25-9-7-8-17-43(2)3/h10-13,18-21,26-29,37-38,43-45,54-61,67-68,83-84,98-99H,6-9,14-17,22-25,30-36,39-42,79-81H2,1-5H3,(H2,82,100)(H,85,102)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,108)(H,91,110)(H,92,112)(H,93,107)(H,94,109)(H,95,113)(H,96,114)(H,97,111)/t44-,45+,54-,55+,56+,57+,58+,59-,60-,61+,67-,68-/m0/s1 3D Structure for NP0018591 (Laterocidine) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C78H113N19O18 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1604.8770 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1603.85110 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-4-amino-1-{[(1S)-4-amino-1-[({[(1R)-4-amino-1-{[(1S)-1-{[(9S,12S,15S,16R)-12-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-7-methyloctanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-4-amino-1-{[(1S)-4-amino-1-[({[(1R)-4-amino-1-{[(1S)-1-{[(9S,12S,15S,16R)-12-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}butyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-7-methyloctanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCCN)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CO)NC(=O)CCCCCC(C)C)[C@@H](C)OC(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C78H113N19O18/c1-6-44(4)67-77(113)95-60(36-62(82)100)70(106)86-39-64(102)85-41-66(104)115-45(5)68(78(114)96-67)97-75(111)59(35-48-38-84-53-21-13-11-19-51(48)53)93-71(107)55(23-15-31-80)88-65(103)40-87-69(105)54(22-14-30-79)90-72(108)56(24-16-32-81)91-74(110)58(34-47-37-83-52-20-12-10-18-50(47)52)94-73(109)57(33-46-26-28-49(99)29-27-46)92-76(112)61(42-98)89-63(101)25-9-7-8-17-43(2)3/h10-13,18-21,26-29,37-38,43-45,54-61,67-68,83-84,98-99H,6-9,14-17,22-25,30-36,39-42,79-81H2,1-5H3,(H2,82,100)(H,85,102)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,108)(H,91,110)(H,92,112)(H,93,107)(H,94,109)(H,95,113)(H,96,114)(H,97,111)/t44-,45+,54-,55+,56+,57+,58+,59-,60-,61+,67-,68-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | MIUUXMLKAKRFMK-PCBFYWCHSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA028418 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 146684560 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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