Structure of PDB 2qin Chain B Binding Site BS01

Receptor Information
>2qin Chain B (length=264) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLPQLRAYTVDASWLQPMAPLQIADHTWQIGTEDLTALLVQTPDGAVLLD
GGMPQMASHLLDNMKARGVTPRDLRLILLSHAHACHAGPVAELKRRTGAK
VAANAESAVLLARGGSDDLHFGDGITYPPANADRIVMDGEVITVGGIVFT
AHFMAGHTPGSTAWTWTDTRNGKPVRIAYADSLSAPGYQLQGNPRYPHLI
EDYRRSFATVRALPCDVLLTPHPGASNWDYAAGARAGAKALTCKAYADAA
EQKFDGQLAKETAG
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 chain2qin Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qin Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		C120 H121 H263
Binding residue
(residue number reindexed from 1)		C85 H86 H222
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 C120 H121 H196 Y228 H263
Catalytic site (residue number reindexed from 1) H81 H83 C85 H86 H157 Y188 H222
Enzyme Commision number 3.5.2.6: beta-lactamase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008800 beta-lactamase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process
GO:0030655 beta-lactam antibiotic catabolic process
GO:0046677 response to antibiotic
Cellular Component
GO:0042597 periplasmic space

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Biological Process
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Cellular Component
External links
PDB RCSB:2qin, PDBe:2qin, PDBj:2qin
PDBsum2qin
PubMed17715946
UniProtP52700|BLA1_STEMA Metallo-beta-lactamase L1 type 3

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