Structure of PDB 2bmi Chain B Binding Site BS03

Receptor Information
>2bmi Chain B (length=230) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAALLD
TPINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSY
ANQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVV
WLPTENILFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYV
VPGHGDYGGTELIEHTKQIVNQYIESTSKP
Ligand information
Ligand IDNA
InChIInChI=1S/Na/q+1
InChIKeyFKNQFGJONOIPTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Na+]
FormulaNa
NameSODIUM ION
ChEMBL
DrugBankDB14516
ZINC
PDB chain2bmi Chain B Residue 275 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bmi X-ray structure of the ZnII beta-lactamase from Bacteroides fragilis in an orthorhombic crystal form.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S37 N38 D52 D86
Binding residue
(residue number reindexed from 1)		S35 N36 D50 D84
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) H80 H82 D84 H143 C162 K165 N174 H204
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:2bmi, PDBe:2bmi, PDBj:2bmi
PDBsum2bmi
PubMed9761816
UniProtP25910|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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