Structure of PDB 7l5t Chain B Binding Site BS01

Receptor Information

>7l5t Chain B (length=247) Species: 287 (Pseudomonas aeruginosa)

SNSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPAST
FKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVP
VFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEDQLRISAVNQVE
FLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPG
VAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIG

Ligand information

• Ligand ID: ISS
• InChI: InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-4,8,10H,2,5-6H2/b3-1+
• InChIKey: WWFGWBHKRFILGQ-HNQUOIGGSA-N
• SMILES:
  ACDLabs 10.04: O=C(CN/C=C/C=O)CCO
  OpenEye OEToolkits 1.5.0: C(CO)C(=O)CN\C=C\C=O
  CACTVS 3.341: OCCC(=O)CNC=CC=O
  OpenEye OEToolkits 1.5.0: C(CO)C(=O)CNC=CC=O
  CACTVS 3.341: OCCC(=O)CN/C=C/C=O
• Formula: C7 H11 N O3
• Name: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal
• ZINC: ZINC000005828738
• PDB chain: 7l5t Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7l5t Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid
• Resolution: 1.88 Å
• Binding residue (original residue number in PDB): S67 F208
• Binding residue (residue number reindexed from 1): S49 F190
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008658 penicillin binding
• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0046677 response to antibiotic
• GO:0071555 cell wall organization

External links

• PDB: RCSB:7l5t, PDBe:7l5t, PDBj:7l5t
• PDBsum: 7l5t
• UniProt: P14489|BLO10_PSEAI Beta-lactamase OXA-10 (Gene Name=bla)