Structure of PDB 5mnu Chain A Binding Site BS02

Receptor Information

>5mnu Chain A (length=246) Species: 287 (Pseudomonas aeruginosa)

MGSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPAST
FKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVP
VFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVE
FLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPG
VAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGII

Ligand information

• Ligand ID: BR
• InChI: InChI=1S/BrH/h1H/p-1
• InChIKey: CPELXLSAUQHCOX-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Br-]
• Formula: Br
• Name: BROMIDE ION
• PDB chain: 5mnu Chain A Residue 308

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5mnu (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
• Resolution: 1.56 Å
• Binding residue (original residue number in PDB): R97 A98 W102 P118
• Binding residue (residue number reindexed from 1): R79 A80 W84 P100
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S67 K70 S115 F120 W154 F208
• Catalytic site (residue number reindexed from 1): S49 K52 S97 F102 W136 F190
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008658 penicillin binding
• GO:0008800 beta-lactamase activity

Biological Process

• GO:0017001 antibiotic catabolic process

External links

• PDB: RCSB:5mnu, PDBe:5mnu, PDBj:5mnu
• PDBsum: 5mnu
• PubMed: 28678295
• UniProt: P14489|BLO10_PSEAI Beta-lactamase OXA-10 (Gene Name=bla)