Structure of PDB 4pwt Chain C Binding Site BS01

Receptor Information
>4pwt Chain C (length=123) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLSSEEQARLQMQELQKNNIVYFGFDKYDIGSDFAQMLDAHAAFLRSNPS
DKVVVEGHADERGTPEYNIALGERRASAVKMYLQGKGVSADQISIVSYGK
EKPAVLGHDEAAFAKNRRAVLVY
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain4pwt Chain C Residue 202 [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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PDB4pwt Crystal structure of peptidoglycan-associated outer membrane lipoprotein from Yersinia pestis CO92
Resolution1.752 Å
Binding residue
(original residue number in PDB)		F70 E106 R107 E155 R162
Binding residue
(residue number reindexed from 1)		F25 E61 R62 E110 R117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

View graph for
Cellular Component
External links
PDB RCSB:4pwt, PDBe:4pwt, PDBj:4pwt
PDBsum4pwt
PubMed
UniProtA0A2U2GZX0

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