Structure of PDB 2h9d Chain C Binding Site BS02

Receptor Information
>2h9d Chain C (length=98) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTPEDCTGLADIREAIDRIDLDIVQALGRRMDYVKAASRFKASEAAIPA
PERVAAMLPERARWAEENGLDAPFVEGLFAQIIHWYIAEQIKYWRQTR
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain2h9d Chain C Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2h9d Two Crystal Structures of the Isochorismate Pyruvate Lyase from Pseudomonas aeruginosa.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		K42 R53 Q90
Binding residue
(residue number reindexed from 1)		K42 R53 Q90
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2h9d, PDBe:2h9d, PDBj:2h9d
PDBsum2h9d
PubMed16914555
UniProtQ51507|PCHB_PSEAE Isochorismate pyruvate lyase (Gene Name=pchB)

[Back to BioLiP]