Structure of PDB 4bol Chain B Binding Site BS01

Receptor Information

>4bol Chain B (length=243) Species: 208964 (Pseudomonas aeruginosa PAO1)

MSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLI
GDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTP
QGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGP
LFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVP
QTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4bol Chain B Residue 1260

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bol Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H42 H153 D163
• Binding residue (residue number reindexed from 1): H26 H137 D147
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.5.1.28: N-acetylmuramoyl-L-alanine amidase.

Gene Ontology

Molecular Function

• GO:0008745 N-acetylmuramoyl-L-alanine amidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009253 peptidoglycan catabolic process
• GO:0009254 peptidoglycan turnover

Cellular Component

• GO:0009276 Gram-negative-bacterium-type cell wall
• GO:0019867 outer membrane

External links

• PDB: RCSB:4bol, PDBe:4bol, PDBj:4bol
• PDBsum: 4bol
• PubMed: 23819763
• UniProt: Q9HT86