Structure of PDB 3wvr Chain B Binding Site BS01

Receptor Information
>3wvr Chain B (length=430) Species: 68187 (Streptomyces cirratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLLVGNDWSEELAEPTGSTGWAVQRLVWFARDGDVLVLPVAPQEEFLAY
VTSLTGTRRSSLTVVVPPPGRLGAGALTADRLADPRFLAALREAFAGRPV
HEVFALWPDAVVADLADALGCPEALEGHDFLTQSGGLIGSSKAAFRALAA
GAGVALPAGAVCADRRRAHRHVTRLLDEGSPVILKQDYGSGSDGNEILSR
TPGLALRGARALRVLADSAALDAYLDERWDWLTEGGRHRVVVERYHPGSR
AYFAEFWISDGGVRLGGHGEMRYRPLPDSQVMPAPDLDQAQLDDLVEGGR
RLCVALHALGYRGVLSADAVVTPAGEVLFTEHNGRATGSTHIYEIVGKRV
VGPGFGTDRILLERVWPEGWEAPSFAGALTRLRDSGHLYDPETRRGAVIL
AAYNTHRKGVMLCYVAEDLEAALHREESVS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3wvr Chain B Residue 504 [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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PDB3wvr A peptide ligase and the ribosome cooperate to synthesize the peptide pheganomycin.
Resolution2.175 Å
Binding residue
(original residue number in PDB)		K185 S192 G208 E243 R244 Y245 H246 V320 T330
Binding residue
(residue number reindexed from 1)		K185 S192 G208 E243 R244 Y245 H246 V320 T330
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3wvr, PDBe:3wvr, PDBj:3wvr
PDBsum3wvr
PubMed25402768
UniProtA0A0A6YVN3

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