Protein profile

PA0449

acyl-CoA thioesterase

Genome: NC_002516.2

Gene: PA0449 Structure source: AlphaFold UniProt Q9I669
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Amino acids 179
Annotations 6
Features 12
PDB binders 2
Druggability 0.277

Overview

Basic information about this protein and its source genome.

Accession
PA0449
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0449
Status
annotated
Amino acids
179
Structure source
AlphaFold
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0052816 Catalysis of the reaction: a long-chain fatty acyl-CoA + H2O = a long-chain fatty acid + CoA + H+. A long-chain fatty acid has an aliphatic tail containing 13 to 22 carbons. GO:0006637 The chemical reactions and pathways involving acyl-CoA, any derivative of coenzyme A in which the sulfhydryl group is in thiolester linkage with an acyl group. GO:0009062 The chemical reactions and pathways resulting in the breakdown of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes. GO:0016790 Catalysis of the reaction: RCO-SR' + H2O = RCOOH + HSR'. This reaction is the hydrolysis of a thiolester bond, an ester formed from a carboxylic acid and a thiol (i.e., RCO-SR'), such as that found in acetyl-coenzyme A.

Target profile

Computed evidence for target prioritization.

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

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 0.277
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0052816 Catalysis of the reaction: a long-chain fatty acyl-CoA + H2O = a long-chain fatty acid + CoA + H+. A long-chain fatty acid has an aliphatic tail containing 13 to 22 carbons.
  • GO:0006637 The chemical reactions and pathways involving acyl-CoA, any derivative of coenzyme A in which the sulfhydryl group is in thiolester linkage with an acyl group.
  • GO:0009062 The chemical reactions and pathways resulting in the breakdown of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.
  • GO:0016790 Catalysis of the reaction: RCO-SR' + H2O = RCOOH + HSR'. This reaction is the hydrolysis of a thiolester bond, an ester formed from a carboxylic acid and a thiol (i.e., RCO-SR'), such as that found in acetyl-coenzyme A.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records
Show feature table
Start End DB Term Name
62 136 Pfam PF03061 Thioesterase superfamily
62 136 InterPro IPR006683 Thioesterase domain
1 41 MobiDBLite mobidb-lite consensus disorder prediction
47 172 FunFam G3DSA:3.10.129.10:FF:000040 Acyl-CoA thioesterase
49 167 SUPERFAMILY SSF54637 Thioesterase/thiol ester dehydrase-isomerase
49 167 InterPro IPR029069 HotDog domain superfamily
44 172 Gene3D G3DSA:3.10.129.10 Hotdog Thioesterase
44 154 ProSiteProfiles PS51770 Hotdog acyl-CoA thioesterase (ACOT)-type domain profile.
44 154 InterPro IPR033120 Hotdog acyl-CoA thioesterase (ACOT)-type domain
49 160 PANTHER PTHR11049 ACYL COENZYME A THIOESTER HYDROLASE
49 160 InterPro IPR040170 Cytosolic acyl coenzyme A thioester hydrolase
50 160 CDD cd03442 BFIT_BACH

3D Structure

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

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Structural evidence

0 + 1

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA0449
AlphaFold — — full sequence — Viewing
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
2 0.277

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.

45 records

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
5NG
5EGL
A0A0H3K033 1533.1 Da LogP -2.80 TPSA 693.1 3 viol. ✓ Clean CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…
BCO
5EGL
A0A0H3K033 837.6 Da LogP -0.54 TPSA 363.6 3 viol. ✓ Clean CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=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.