Structure of PDB 5n4s Chain B

Receptor sequence
>5n4sB (length=230) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence]
AYPTVEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLL
IDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVA
TYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTD
NLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPE
AQFVIPGHGLPGGLDLLKHTTNVVKAHTNR
3D structure
PDB5n4s Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
ChainB
Resolution1.2 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) H82 H84 D86 H147 C166 Y169 N178 H208
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 B D118 C198 H240 D86 C166 H208
BS02 ZN B H114 H116 H179 H82 H84 H147
BS03 R38 B Y67 H116 D118 H179 R205 N210 H240 Y35 H84 D86 H147 R173 N178 H208 MOAD: ic50=0.055uM
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:5n4s, PDBe:5n4s, PDBj:5n4s
PDBsum5n4s
PubMed28470248
UniProtQ9K2N0

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