Structure of PDB 5wcm Chain B Binding Site BS04

Receptor Information
>5wcm Chain B (length=263) Species: 224911 (Bradyrhizobium diazoefficiens USDA 110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKWTAPFEPFQLIDNIYYVGTDGIAVYVIKTSQGLILMDTAMPQSTGMIK
DNIAKLGFKVADIKLILNTHAHLDHTGGFAEIKKETGAQLVAGERDKPLL
EGGYYPGDEKNEDLAFPAVKVDRAVKEGDRVTLGDTTLTAHATPGHSPGC
TSWEMTVKDGKEDREVLFFCSGTVALNRLVGQPTYAGIVDDYRATFAKAK
AMKIDVLLGPHPEVYGMQAKRAEMKDGAPNPFIKPGELVTYATSLSEDFD
KQLAKQTAALEKK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5wcm Chain B Residue 304 [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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PDB5wcm High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		K81 E112 E116
Binding residue
(residue number reindexed from 1)		K50 E81 E85
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H101 H103 D105 H106 H177 N208 H242
Catalytic site (residue number reindexed from 1) H70 H72 D74 H75 H146 N177 H211
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5wcm, PDBe:5wcm, PDBj:5wcm
PDBsum5wcm
PubMed20696874
UniProtQ89GW5

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