Structure of PDB 3hgw Chain D Binding Site BS01

Receptor Information

>3hgw Chain D (length=97) Species: 287 (Pseudomonas aeruginosa)

KTPEDCTGLADIREAIDRIDLDIVQALGRRMDYVKAASRFKASEAAIPAP
ERVAAMLPERARWAEENGLDAPFVEGLFAQIIHWYTAEQIKYWRQTR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3hgw Chain D Residue 102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3hgw Structure-function analyses of isochorismate-pyruvate lyase from Pseudomonas aeruginosa suggest differing catalytic mechanisms for the two pericyclic reactions of this bifunctional enzyme
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): E15 D18
• Binding residue (residue number reindexed from 1): E14 D17
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.2.99.21: isochorismate lyase.
  5.4.99.5: chorismate mutase.

Gene Ontology

Molecular Function

• GO:0004106 chorismate mutase activity
• GO:0016829 lyase activity
• GO:0016835 carbon-oxygen lyase activity
• GO:0016853 isomerase activity
• GO:0043904 isochorismate pyruvate lyase activity

Biological Process

• GO:0009697 salicylic acid biosynthetic process
• GO:0019752 carboxylic acid metabolic process
• GO:0042864 pyochelin biosynthetic process
• GO:0046417 chorismate metabolic process

External links

• PDB: RCSB:3hgw, PDBe:3hgw, PDBj:3hgw
• PDBsum: 3hgw
• PubMed: 19432488
• UniProt: Q51507|PCHB_PSEAE Isochorismate pyruvate lyase (Gene Name=pchB)