Structure of PDB 5jmx Chain A

Receptor sequence
>5jmxA (length=217) Species: 1396 (Bacillus cereus) [Search protein sequence]
KTVIKNETGTISISQLNKNVWVHTELGAVPSNGLVLNTSKGLVLVDSSWD
DKLTKELIEMVEKKFQKRVTDVIITHAHADRIGGIKTLKERGIKAHSTAL
TAELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIVVWLPQ
YNILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINAVVPGH
GEVGDKGLLLHTLDLLK
3D structure
PDB5jmx Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
ChainA
Resolution1.44 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H116 H118 D120 H179 C198 K201 N210 H240
Catalytic site (residue number reindexed from 1) H76 H78 D80 H139 C158 K161 N170 H200
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 D120 C198 H240 D80 C158 H200
BS02 ZN A H116 H118 H179 H76 H78 H139
BS03 DZ5 A H118 D120 H179 C198 N210 H240 H78 D80 H139 C158 N170 H200 PDBbind-CN: -logKd/Ki=5.09,IC50=8.2uM
BindingDB: IC50=8200nM
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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Cellular Component
External links
PDB RCSB:5jmx, PDBe:5jmx, PDBj:5jmx
PDBsum5jmx
PubMed29655609
UniProtP04190|BLA2_BACCE Metallo-beta-lactamase type 2 (Gene Name=blm)

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