Structure of PDB 5njw Chain B Binding Site BS03

Receptor Information
>5njw Chain B (length=274) Species: 224911 (Bradyrhizobium diazoefficiens USDA 110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTIKDFLAVAMKKWTAPFEPFQLIDNIYYVGTDGIAVYVIKTSQGLILMD
TAMPQSTGMIKDNIAKLGFKVADIKLILNTHAHLDHTGGFAEIKKETGAQ
LVAGERDKPLLEGGYYPGDEKNEDLAFPAVKVDRAVKEGDRVTLGDTTLT
AHATPGHSPGCTSWEMTVKDGKEDREVLFFCSGTVALNRLVGQPTYAGIV
DDYRATFAKAKAMKIDVLLGPHPEVYGMQAKRAEMKDGAPNPFIKPGELV
TYATSLSEDFDKQLAKQTAALEKK
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 chain5njw Chain B Residue 303 [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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PDB5njw Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E158 H172 K229
Binding residue
(residue number reindexed from 1)		E138 H152 K209
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) H81 H83 D85 H86 H157 N188 H222
Enzyme Commision number ?
External links