Structure of PDB 2h9d Chain D Binding Site BS02

Receptor Information
>2h9d Chain D (length=100) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTPEDCTGLADIREAIDRIDLDIVQALGRRMDYVKAASRFKASEAAIPA
PERVAAMLPERARWAEENGLDAPFVEGLFAQIIHWYIAEQIKYWRQTRGA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2h9d Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h9d Two Crystal Structures of the Isochorismate Pyruvate Lyase from Pseudomonas aeruginosa.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E15 D18
Binding residue
(residue number reindexed from 1)		E15 D18
Annotation score1
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

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

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