Structure of PDB 6bm9 Chain D Binding Site BS01

Receptor Information
>6bm9 Chain D (length=225) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYPTASEIPDGEVRLYQIADGVWSHIAAQPYPSNGLIVRDGDELLLIDTA
WGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYAS
PSTRRLAKVEGTEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSPDNLIV
YVPSARVLYGGCAIYELSRTSAGNVAAADLAEWPTSIERIQQHYPEAQFV
IPGHGLPGGLDLLKHTSDVVKAHTN
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 chain6bm9 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bm9 Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		H114 H116
Binding residue
(residue number reindexed from 1)		H78 H80
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H114 H116 D118 H179 C198 Y201 N210 H240
Catalytic site (residue number reindexed from 1) H78 H80 D82 H143 C162 Y165 N174 H204
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6bm9, PDBe:6bm9, PDBj:6bm9
PDBsum6bm9
PubMed30719972
UniProtQ5U7L7

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