Structure of PDB 5wep Chain B Binding Site BS03

Receptor Information
>5wep Chain B (length=133) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLQGLNHLTLAVSDLASSLAFYQQLPGMRLHASWDSGAYLSCGALWLCLS
LDEQRRKTPPQESDYTHYAFSVAEEEFAGVVALLAQAGAEVWKDNASYYF
LDPDGHKLELHVGNLAQRLAACRERPYKGMVFF
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 chain5wep Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wep Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Resolution3.502 Å
Binding residue
(original residue number in PDB)		H67 E113
Binding residue
(residue number reindexed from 1)		H67 E109
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5wep, PDBe:5wep, PDBj:5wep
PDBsum5wep
PubMed30642934
UniProtD7UQM0

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