Structure of PDB 6dja Chain A Binding Site BS01

Receptor Information
>6dja Chain A (length=222) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKVIKNETGTISISQLNKNVWVHTELGYFSGEAVPSNGLVLNTSKGLVLV
DSSWDDKLTKELIEMVEKKFKKRVTDVIITHAHADRIGGMKTLKERGIKA
HSTALTAELAKKNGYEEPLGDLQSVTNLKFGNMKVETFYPGKGHTEDNIV
VWLPQYQILAGGCLVKSASSKDLGNVADAYVNEWSTSIENVLKRYGNINL
VVPGHGEVGDRGLLLHTLDLLK
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 chain6dja Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dja A DNA aptamer reveals an allosteric site for inhibition in metallo-beta-lactamases.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		H116 H118 H179
Binding residue
(residue number reindexed from 1)		H81 H83 H144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H179 C198 K201 N210 H240
Catalytic site (residue number reindexed from 1) H81 H83 D85 H144 C163 K166 N175 H205
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6dja, PDBe:6dja, PDBj:6dja
PDBsum6dja
PubMed31009467
UniProtP14488|BLAB_BACCE Metallo-beta-lactamase type 2

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