Protein profile

PA0997

hypothetical protein

Genome: NC_002516.2

Gene: pqsB PA0997 Structure source: Experimental + AlphaFold UniProt Q9I4X2
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Amino acids 283
Annotations 3
Features 4
PDB binders 1
Druggability 0.878

Overview

Basic information about this protein and its source genome.

Accession
PA0997
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
pqsB PA0997
Status
annotated
Amino acids
283
Structure source
Experimental + AlphaFold
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0016746 Catalysis of the transfer of an acyl group from one compound (donor) to another (acceptor). GO:0044550 The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon.

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 0.878
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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0016746 Catalysis of the transfer of an acyl group from one compound (donor) to another (acceptor).
  • GO:0044550 The chemical reactions and pathways resulting in the formation of secondary metabolites, the compounds that are not necessarily required for growth and maintenance of cells, and are often unique to a taxon.

Sequence Features

Domain/signature hits from InterPro and related databases.

4 records
Show feature table
Start End DB Term Name
2 157 Gene3D G3DSA:3.40.47.10 -
2 157 InterPro IPR016039 Thiolase-like
23 156 SUPERFAMILY SSF53901 Thiolase-like
23 156 InterPro IPR016039 Thiolase-like

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

Loading 3D structure...

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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 6ET0
X-ray 1.53 Å B,D
100.0% 1-283
PDBe RCSB PDBj File
Viewing
PDB 6ESZ
X-ray 1.84 Å B,D
100.0% 1-283
PDBe RCSB PDBj File
Loaded
PDB 5DWZ
X-ray 2.04 Å A,B,E,G
100.0% 1-283
PDBe RCSB PDBj File
Loaded
PDB 6ET3
X-ray 2.25 Å B,D
100.0% 1-283
PDBe RCSB PDBj File
Loaded
PDB 6ET2
X-ray 2.60 Å B,D,F,H,J,L,N,P
100.0% 1-283
PDBe RCSB PDBj File
Loaded
PDB 6ET1
X-ray 2.65 Å B,D,F,H
100.0% 1-283
PDBe RCSB PDBj File
Loaded
AlphaFold PA0997
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 0.878
2 0.62

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 27.39 0.92
2 6.28 0.315
3 1.67 0.028

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.

1 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
BU3
6ET3 2.25 Å Open crystal
90.1 Da LogP -0.25 TPSA 40.5 ✓ Ro5 ✓ Clean C[C@H]([C@@H](C)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.