Structure of PDB 1hlk Chain A

Receptor sequence
>1hlkA (length=227) Species: 817 (Bacteroides fragilis) [Search protein sequence]
SVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAALLDT
PINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSYA
NQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVW
LPTENILFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVV
PGHGDYGGTELIEHTKQIVNQYIESTS
3D structure
PDB1hlk Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases
ChainA
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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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.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 ZN A H99 H101 H162 H79 H81 H142
BS02 ZN A C181 H223 C161 H203
BS03 113 A W49 H162 C181 N193 H223 W29 H142 C161 N173 H203 MOAD: Ki=10uM
PDBbind-CN: -logKd/Ki=5.00,Ki=10uM
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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