Structure of PDB 7otc Chain w Binding Site BS04

Receptor Information
>7otc Chain w (length=675) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARTTPIARYRNIGISAHIDAGKTTTTERILFYTGVNHKSAATTAFWSGM
AKQYEPHRINIIDTPGHVDFTIEVERSMRVLDGAVMVYCAVGGVQPQSET
VWRQANKYKVPRIAFVNKMDRMGANFLKVVNQIKTRLGANPVPLQLAIGA
EEHFTGVVDLVKMKAINWNDADQGVTFEYEDIPADMVELANEWHQNLIES
AAEASEELMEKTLGGEELTEAEIKGALRQRVLDNEIILVTCGSAFKNKGV
QAMLDAVIDYLPSPVDVPAINGILDDGKDTPAERHASDDEPFSALAFKIA
TDPFVGNLTFFRVYSGVVNSGDTVLNSVKAARERFGRIVQMHANKREEIK
EVRAGDIAAAIGLKDVTTGDTLCDPDAPIILERMEFPEPVISIAVEPKTK
ADQEKMGLALGRLAKEDPSFRVWTDEESNQTIIAGMGELHLDIIVDRMKR
EFNVEANVGKPQVAYRETIRQKVTDVEGKHAKQSGGRGQYGHVVIDMYPL
EPGSNPKGYEFINDIKGGVIPGEYIPAVDKGIQEQLKAGPLAGYPVVDMG
IRLHFGSYHDVDSSELAFKLAASIAFKEGFKKAKPVLLEPIMKVEVETPE
ENTGDVIGDLSRRRGMLKGQESEVTGVKIHAEVPLSEMFGYATQLRSLTK
GRASYTMEFLKYDEAPSNVAQAVIE
Ligand information
Ligand ID1I7
InChIInChI=1S/C41H46N10O8S/c1-6-26-37(55)46-22(3)41(58)51(4)19-34(53)45-21(2)40-50-31(20-60-40)39(57)49-30(14-23-16-42-27-11-8-7-10-25(23)27)38(56)48-29(36(54)44-18-33(52)47-26)15-24-17-43-28-12-9-13-32(59-5)35(24)28/h7-13,16-17,20-21,26,29-30,42-43H,3,6,14-15,18-19H2,1-2,4-5H3,(H,44,54)(H,45,53)(H,46,55)(H,47,52)(H,48,56)(H,49,57)/t21-,26-,29+,30+/m1/s1
InChIKeyOVJDNZFLEREPKG-VPMCBBNJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[CH]1NC(=O)CNC(=O)[CH](Cc2c[nH]c3cccc(OC)c23)NC(=O)[CH](Cc4c[nH]c5ccccc45)NC(=O)c6csc(n6)[CH](C)NC(=O)CN(C)C(=O)C(=C)NC1=O
OpenEye OEToolkits 2.0.7CCC1C(=O)NC(=C)C(=O)N(CC(=O)NC(c2nc(cs2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)Cc3c[nH]c4c3c(ccc4)OC)Cc5c[nH]c6c5cccc6)C)C
OpenEye OEToolkits 2.0.7CC[C@@H]1C(=O)NC(=C)C(=O)N(CC(=O)N[C@@H](c2nc(cs2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)Cc3c[nH]c4c3c(ccc4)OC)Cc5c[nH]c6c5cccc6)C)C
CACTVS 3.385CC[C@H]1NC(=O)CNC(=O)[C@H](Cc2c[nH]c3cccc(OC)c23)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c6csc(n6)[C@@H](C)NC(=O)CN(C)C(=O)C(=C)NC1=O
FormulaC41 H46 N10 O8 S
NameArgyrin B;
(4S,7S,13R,22R)-13-ethyl-4-(1H-indol-3-ylmethyl)-7-[(4-methoxy-1H-indol-3-yl)methyl]-18,22-dimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone
ChEMBLCHEMBL5282909
DrugBank
ZINCZINC000165019779
PDB chain7otc Chain w Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7otc The cyclic octapeptide antibiotic argyrin B inhibits translation by trapping EF-G on the ribosome during translocation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E413 P414 V415 I416 S417 W448 D450 P486 Q487 V488 L660 M682
Binding residue
(residue number reindexed from 1)		E388 P389 V390 I391 S392 W423 D425 P461 Q462 V463 L635 M657
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003746 translation elongation factor activity
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0006412 translation
GO:0006414 translational elongation
GO:0032790 ribosome disassembly
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7otc, PDBe:7otc, PDBj:7otc
PDBsum7otc
PubMed35500116
UniProtA0A140N7C7

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