Structure of PDB 4d1t Chain A Binding Site BS02

Receptor Information
>4d1t Chain A (length=229) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEYPTVDDIPVGEVRLYKIGDGVWSHIATQKLGDTVYSSNGLIVRDADEL
LLIDTAWGAKNTVALLAEIEKQIGLPVTRSISTHFHDDRVGGVDVLRAAG
VATYTSPLTRQLAEAAGNEVPAHSLKALSSSGDVVRFGPVEVFYPGAAHS
GDNLVVYVPAVRVLFGGCAVHEASRESAGNVADANLAEWPATIKRIQQRY
PEAEVVIPGHGLPGGLELLQHTTNVVKTK
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 chain4d1t Chain A Residue 1293 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d1t His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency in the Metallo-Beta-Lactamase Vim-7.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		D120 C221 H263
Binding residue
(residue number reindexed from 1)		D88 C168 H210
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H196 C221 H224 N233 H263
Catalytic site (residue number reindexed from 1) H84 H86 D88 H149 C168 H171 N180 H210
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008800 beta-lactamase activity
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4d1t, PDBe:4d1t, PDBj:4d1t
PDBsum4d1t
PubMed24913158
UniProtQ840P9

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