Protein profile

PA0968

hypothetical protein

Genome: NC_002516.2

Gene: PA0968 Structure source: Experimental + AlphaFold UniProt Q9I4Z5
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Amino acids 148
Annotations 3
Features 14
PDB binders 6
Druggability 0.789

Overview

Basic information about this protein and its source genome.

Accession
PA0968
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA0968
Status
annotated
Amino acids
148
Structure source
Experimental + AlphaFold
GO
GO:0047617 Catalysis of the reaction: a fatty acyl-CoA + H2O = a fatty acid + CoA + H+. GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. 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)
Y
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 0.789
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0047617 Catalysis of the reaction: a fatty acyl-CoA + H2O = a fatty acid + CoA + H+.
  • GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
  • 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.

14 records
Show feature table
Start End DB Term Name
1 148 Gene3D G3DSA:3.10.129.10 Hotdog Thioesterase
24 107 Pfam PF03061 Thioesterase superfamily
24 107 InterPro IPR006683 Thioesterase domain
10 135 NCBIfam TIGR02799 tol-pal system-associated acyl-CoA thioesterase
10 135 InterPro IPR014166 Tol-Pal system-associated acyl-CoA thioesterase
3 142 PIRSF PIRSF003230 YbgC
3 142 InterPro IPR006684 Acyl-CoA thioester hydrolase YbgC/YbaW family
13 130 NCBIfam TIGR00051 YbgC/FadM family acyl-CoA thioesterase
13 130 InterPro IPR006684 Acyl-CoA thioester hydrolase YbgC/YbaW family
1 148 FunFam G3DSA:3.10.129.10:FF:000090 Tol-pal system-associated acyl-CoA thioesterase
10 137 PANTHER PTHR31793 4-HYDROXYBENZOYL-COA THIOESTERASE FAMILY MEMBER
10 119 CDD cd00586 4HBT
8 137 SUPERFAMILY SSF54637 Thioesterase/thiol ester dehydrase-isomerase
8 137 InterPro IPR029069 HotDog domain superfamily

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

1 + 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 5V10
X-ray 1.90 Å A,B
100.0% 1-148
PDBe RCSB PDBj File
Viewing
AlphaFold PA0968
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 0.789

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 4.03 0.161

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.

25 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
HXC
5T06
P0A8Z3 865.7 Da LogP 0.25 TPSA 363.6 3 viol. ✓ Clean CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@…
JEF
2W3X
Q8KNG2 597.8 Da LogP 3.24 TPSA 118.3 2 viol. ✓ Clean C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H…
MFK
5T07
P0A8Z3 921.8 Da LogP 1.81 TPSA 363.6 3 viol. ✓ Clean CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO…
POP
2W3X
Q8KNG2 176.0 Da LogP -2.08 TPSA 129.9 ✓ Ro5 ✓ Clean O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
SSV
2XEM
Q84HI7 214.3 Da LogP 3.93 TPSA 17.1 ✓ Ro5 ✓ Clean C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C
TAR
4I4J
Q8GME8 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@H]([C@@H](C(=O)O)O)(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.