Structure of PDB 2ynv Chain B Binding Site BS01

Receptor Information
>2ynv Chain B (length=217) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPLEVIKIEDGVYLHTSFKNIEGYGLVDSNGLVVLDNNQAYIIDTPWSEE
DTKLLLSWATDRGYQVMASISTHSHEDRTAGIKLLNSKSIPTYTSELTKK
LLAREGKPVPTHYFKDDEFTLGNGLIELYYPGAGHTEDNIVAWLPKSKIL
FGGCLVRSHEWEGLGYVGDASISSWADSIKNIVSKKYPIQMVVPGHGKVG
SSDILDHTIDLAESASN
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 chain2ynv Chain B Residue 1296 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ynv Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H116 H196
Binding residue
(residue number reindexed from 1)		H73 H135
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H196 C221 R224 Y233 H263
Catalytic site (residue number reindexed from 1) H73 H75 D77 H135 C154 R157 Y166 H196
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:2ynv, PDBe:2ynv, PDBj:2ynv
PDBsum2ynv
PubMed23208706
UniProtQ704V1

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