Protein profile

PA4230

isochorismate-pyruvate lyase

Genome: NC_002516.2

Gene: PA4230 pchB Structure source: Experimental + AlphaFold UniProt Q51507
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Amino acids 101
Annotations 8
Features 16
PDB binders 2
Druggability 0.751

Overview

Basic information about this protein and its source genome.

Accession
PA4230
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4230 pchB
Status
annotated
Amino acids
101
Structure source
Experimental + AlphaFold
EC
4.2.99.21 5.4.99.5
GO
GO:0016835 Catalysis of the breakage of a carbon-oxygen bond. GO:0004106 Catalysis of the reaction: chorismate = prephenate. GO:0043904 Catalysis of the reaction: isochorismate = salicylate + pyruvate. GO:0046417 The chemical reactions and pathways involving chorismate, the anion of (3R-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid. GO:0042864 The chemical reactions and pathways resulting in the formation of the siderochrome pyochelin (2-(2-o-hydroxyphenyl-2-thiazolin-4-yl)-3-methylthiazolidine-4-carboxylic acid). GO:0009697 The chemical reactions and pathways resulting in the formation of salicylic acid (2-hydroxybenzoic acid), a derivative of benzoic acid.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Unknown

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.751
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MKTPEDCTGLADIREAIDRIDLDIVQALGRRMDYVKAASRFKASEAAIPAPERVAAMLPERARWAEENGLDAPFVEGLFAQIIHWYIAEQIKYWRQTRGAA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 EC 6 GO

Enzyme Commission (EC)

2

Gene Ontology (GO)

6
  • GO:0016835 Catalysis of the breakage of a carbon-oxygen bond.
  • GO:0004106 Catalysis of the reaction: chorismate = prephenate.
  • GO:0043904 Catalysis of the reaction: isochorismate = salicylate + pyruvate.
  • GO:0046417 The chemical reactions and pathways involving chorismate, the anion of (3R-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid.
  • GO:0042864 The chemical reactions and pathways resulting in the formation of the siderochrome pyochelin (2-(2-o-hydroxyphenyl-2-thiazolin-4-yl)-3-methylthiazolidine-4-carboxylic acid).
  • GO:0009697 The chemical reactions and pathways resulting in the formation of salicylic acid (2-hydroxybenzoic acid), a derivative of benzoic acid.

Sequence Features

Domain/signature hits from InterPro and related databases.

16 records
Show feature table
Start End DB Term Name
10 90 NCBIfam TIGR01803 chorismate mutase family protein
10 90 InterPro IPR008241 Salicylate biosynthesis protein PchB
1 101 Gene3D G3DSA:1.20.59.10 Chorismate mutase
1 101 InterPro IPR036979 Chorismate mutase domain superfamily
4 94 ProSiteProfiles PS51168 Chorismate mutase domain profile.
4 94 InterPro IPR002701 Chorismate mutase II, prokaryotic-type
14 93 SMART SM00830 CM_2_4
14 93 InterPro IPR002701 Chorismate mutase II, prokaryotic-type
3 98 PANTHER PTHR38041 CHORISMATE MUTASE
14 90 Pfam PF01817 Chorismate mutase type II
14 90 InterPro IPR002701 Chorismate mutase II, prokaryotic-type
1 94 SUPERFAMILY SSF48600 Chorismate mutase II
1 94 InterPro IPR036263 Chorismate mutase type II superfamily
1 101 PIRSF PIRSF029775 Isochor_pyr_lyas
1 101 InterPro IPR008241 Salicylate biosynthesis protein PchB
1 101 FunFam G3DSA:1.20.59.10:FF:000012 Isochorismate pyruvate lyase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

3D visualization script Full viewer

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Structural evidence

6 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 3RET
X-ray 1.79 Å A,B
100.0% 1-101
PDBe RCSB PDBj File
Viewing
PDB 2H9D
X-ray 1.95 Å A,B,C,D
100.0% 1-101
PDBe RCSB PDBj File
Loaded
PDB 3REM
X-ray 1.95 Å A,B
100.0% 1-101
PDBe RCSB PDBj File
Loaded
PDB 2H9C
X-ray 2.35 Å A,B
98.0% 1-99
PDBe RCSB PDBj File
Loaded
PDB 3HGX
X-ray 2.50 Å A,B
98.0% 1-99
PDBe RCSB PDBj File
Loaded
PDB 3HGW
X-ray 2.25 Å A,B,C,D
97.0% 1-98
PDBe RCSB PDBj File
Loaded
AlphaFold PA4230
AlphaFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET Sticks Spheres Surfaces Druggability Labels Zoom Positions
1 0.751

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 5.78 0.282

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

52 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
PYR
2H9D 1.95 Å Open crystal
88.1 Da LogP -0.34 TPSA 54.4 ✓ Ro5 ✓ Clean CC(=O)C(=O)O
SAL
3HGX 2.50 Å Open crystal
138.1 Da LogP 1.09 TPSA 57.5 ✓ Ro5 ✓ Clean c1ccc(c(c1)C(=O)O)O

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.