Structure of PDB 6eum Chain A

Receptor sequence
>6eumA (length=222) Species: 1396 (Bacillus cereus) [Search protein sequence]
KTVIKNETGTISISQLNKNVWVHTELGSFNGEAVPSNGLVLNTSKGLVLV
DSSWDDKLTKELIEMVEKKFQKRVTDVIITHAHADRIGGIKTLKERGIKA
HSTALTAELAKKNGYEEPLGDLQTVTNLKFGNMKVETFYPGKGHTEDNIV
VWLPQYNILVGGCLVKSTSAKDLGNVADAYVNEWSTSIENVLKRYRNINA
VVPGHGEVGDKGLLLHTLDLLK
3D structure
PDB6eum Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
ChainA
Resolution1.18 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) H81 H83 D85 H144 C163 K166 N175 H205
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 D85 C163 H205
BS02 ZN A H116 H118 H179 H81 H83 H144
BS03 BY5 A W89 H118 D120 H179 C198 N210 H240 W54 H83 D85 H144 C163 N175 H205 MOAD: ic50=0.3uM
PDBbind-CN: -logKd/Ki=6.52,IC50=0.3uM
BindingDB: IC50=300nM
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:6eum, PDBe:6eum, PDBj:6eum
PDBsum6eum
PubMed29655609
UniProtP04190|BLA2_BACCE Metallo-beta-lactamase type 2 (Gene Name=blm)

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