Structure of PDB 5moz Chain B Binding Site BS02

Receptor Information

>5moz Chain B (length=247) Species: 287 (Pseudomonas aeruginosa)

MGSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPAST
FKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVP
VFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVE
FLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPG
VAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIG

Ligand information

• Ligand ID: IOD
• InChI: InChI=1S/HI/h1H/p-1
• InChIKey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [I-]
• Formula: I
• Name: IODIDE ION
• DrugBank: DB12754
• PDB chain: 5moz Chain B Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5moz (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
• Resolution: 1.34 Å
• Binding residue (original residue number in PDB): A66 S67 W154
• Binding residue (residue number reindexed from 1): A48 S49 W136
• 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:5moz, PDBe:5moz, PDBj:5moz
• PDBsum: 5moz
• PubMed: 28678295
• UniProt: P14489|BLO10_PSEAI Beta-lactamase OXA-10 (Gene Name=bla)