Structure of PDB 2wgv Chain B Binding Site BS01

Receptor Information

>2wgv Chain B (length=247) Species: 287 (Pseudomonas aeruginosa)

MGSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPAST
FKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSATP
VFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVE
FLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPG
VAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIG

Ligand information

• Ligand ID: CL
• InChI: InChI=1S/ClH/h1H/p-1
• InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Cl-]
• Formula: Cl
• Name: CHLORIDE ION
• DrugBank: DB14547
• PDB chain: 2wgv Chain B Residue 1266

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2wgv Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post- Translational Carboxylation of Lys70.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): K70 W154
• Binding residue (residue number reindexed from 1): K52 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:2wgv, PDBe:2wgv, PDBj:2wgv
• PDBsum: 2wgv
• PubMed: 21108605
• UniProt: P14489|BLO10_PSEAI Beta-lactamase OXA-10 (Gene Name=bla)