Structure of PDB 1hlk Chain A Binding Site BS01

Receptor Information
>1hlk Chain A (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
LPTENILFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVV
PGHGDYGGTELIEHTKQIVNQYIESTS
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 chain1hlk Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hlk Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H99 H101 H162
Binding residue
(residue number reindexed from 1)		H79 H81 H142
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99 H101 D103 H162 C181 K184 N193 H223
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
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:1hlk, PDBe:1hlk, PDBj:1hlk
PDBsum1hlk
PubMed12019104
UniProtP25910|BLAB_BACFG Metallo-beta-lactamase type 2 (Gene Name=ccrA)

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