Structure of PDB 6v3q Chain B Binding Site BS01

Receptor Information
>6v3q Chain B (length=226) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQPKDVPVTFTAITQGVWMHTSMKHMENWGHVPSNGLIVEKGDFSILVDT
AWDDPQTAQIIEWSKDTLKKPIRWAVFTHAHDDKMGGVAALRQQGIVTYA
AADSNRMAPQNGLTPAEHDLIFDSEHSTSVLHPLVIFDPGPGHTRDNIVV
GLPEQGIVFGGCLIRPSGSTSLGNTADADLAHWKTAVLAVAQRFAEAQQI
IPSHGPMAGRELFELTAQLAEKASIP
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 chain6v3q Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6v3q Crystal Structure of the Metallo-beta-Lactamase FIM-1 from Pseudomonas aeruginosa in the Mono-Zinc Form
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H78 H80 H142
Binding residue
(residue number reindexed from 1)		H79 H81 H143
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H78 H80 D82 H142 C161 R164 N173 H203
Catalytic site (residue number reindexed from 1) H79 H81 D83 H143 C162 R165 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:6v3q, PDBe:6v3q, PDBj:6v3q
PDBsum6v3q
PubMed
UniProtK7SA42

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