Structure of PDB 5mxr Chain A

Receptor sequence
>5mxrA (length=232) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence]
EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELL
LIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGV
ATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHST
DNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYP
EAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRS
3D structure
PDB5mxr SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
ChainA
Resolution1.75 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H114 H116 D118 H179 C198 Y201 N210 H240
Catalytic site (residue number reindexed from 1) H83 H85 D87 H148 C167 Y170 N179 H209
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 H114 H116 H179 H83 H85 H148
BS02 ZN A D118 H240 D87 H209
BS03 JTY A F62 W87 D118 H179 C198 R205 G209 N210 H240 F31 W56 D87 H148 C167 R174 G178 N179 H209 MOAD: ic50=6.2uM
PDBbind-CN: -logKd/Ki=5.21,IC50=6.2uM
BS04 JTY A A132 H153 A101 H122 MOAD: ic50=6.2uM
PDBbind-CN: -logKd/Ki=5.21,IC50=6.2uM
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0017001 antibiotic catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5mxr, PDBe:5mxr, PDBj:5mxr
PDBsum5mxr
PubMed30427656
UniProtQ9K2N0

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