Structure of PDB 6yi4 Chain AAA Binding Site BS02

Receptor Information
>6yi4 Chain AAA (length=217) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPDLKIEKLEEGVFVHTSFEEVNGWGVVTKHGLVVLVNTDAYLIDTPFTA
TDTEKLVNWFVERGYEIKGTISSHFHSDSTGGIEWLNSQSIPTYASELTN
ELLKKSGKVQAKYSFSEVSYWLVKNKIEVFYPGPGHTQDNLVVWLPESKI
LFGGCFIKPHGLGNLGDANLEAWPKSAKILMSKYGKAKLVVSSHSEKGDA
SLMKRTWEQALKGLKES
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 chain6yi4 Chain AAA Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yi4 Structure of IMP-13 metallo-beta-lactamase complexed with citrate anion
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H77 H79 H139
Binding residue
(residue number reindexed from 1)		H74 H76 H136
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H77 H79 D81 H139 C158 K161 N167 H197
Catalytic site (residue number reindexed from 1) H74 H76 D78 H136 C155 K158 N164 H194
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: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:6yi4, PDBe:6yi4, PDBj:6yi4
PDBsum6yi4
PubMed
UniProtQ7WYA8|BLAB_PSEAI Metallo-beta-lactamase type 2 (Gene Name=bla-imp13)

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