Structure of PDB 1a7t Chain B Binding Site BS02

Receptor Information
>1a7t Chain B (length=227) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAALLDT
PINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSYA
NQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVW
LPTENILFGGCMLKDNQTTSIGNISDADVTAWPKTLDKVKAKFPSARYVV
PGHGNYGGTELIEHTKQIVNQYIESTS
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 chain1a7t Chain B Residue 252 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a7t Unanticipated inhibition of the metallo-beta-lactamase from Bacteroides fragilis by 4-morpholineethanesulfonic acid (MES): a crystallographic study at 1.85-A resolution.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D86 C164 H206
Binding residue
(residue number reindexed from 1)		D83 C161 H203
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H82 H84 D86 H145 C164 K167 N176 H206
Catalytic site (residue number reindexed from 1) H79 H81 D83 H142 C161 K164 N173 H203
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:1a7t, PDBe:1a7t, PDBj:1a7t
PDBsum1a7t
PubMed9578564
UniProtP25910|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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