Protein profile

PA2086

epoxide hydrolase

Genome: NC_002516.2

Gene: PA2086 Structure source: Experimental + AlphaFold UniProt Q9I229
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Amino acids 300
Annotations 2
Features 15
PDB binders 29
Druggability 0.783

Overview

Basic information about this protein and its source genome.

Accession
PA2086
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2086
Status
annotated
Amino acids
300
Structure source
Experimental + AlphaFold
GO
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
34.906
Human E-value
8.4e-13
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
Extracellular

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 0.783
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2
  • GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.

Sequence Features

Domain/signature hits from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
1 300 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
1 300 InterPro IPR029058 Alpha/Beta hydrolase fold
269 291 PRINTS PR00412 Epoxide hydrolase signature
269 291 InterPro IPR000639 Epoxide hydrolase-like
37 55 PRINTS PR00412 Epoxide hydrolase signature
37 55 InterPro IPR000639 Epoxide hydrolase-like
103 116 PRINTS PR00412 Epoxide hydrolase signature
103 116 InterPro IPR000639 Epoxide hydrolase-like
117 130 PRINTS PR00412 Epoxide hydrolase signature
117 130 InterPro IPR000639 Epoxide hydrolase-like
31 141 Pfam PF00561 alpha/beta hydrolase fold
31 141 InterPro IPR000073 Alpha/beta hydrolase fold-1
28 293 PANTHER PTHR43329 EPOXIDE HYDROLASE
4 295 SUPERFAMILY SSF53474 alpha/beta-Hydrolases
4 295 InterPro IPR029058 Alpha/Beta hydrolase fold

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 4BAT
X-ray 1.30 Å A
100.0% 1-300
PDBe RCSB PDBj File
Viewing
PDB 4BAZ
X-ray 1.35 Å A
100.0% 1-300
PDBe RCSB PDBj File
Loaded
PDB 4B9E
X-ray 1.40 Å A
100.0% 1-300
PDBe RCSB PDBj File
Loaded
PDB 4B9A
X-ray 1.45 Å A
100.0% 1-300
PDBe RCSB PDBj File
Loaded
PDB 4BAU
X-ray 1.55 Å A
100.0% 1-300
PDBe RCSB PDBj File
Loaded
PDB 4BB0
X-ray 1.77 Å A
100.0% 1-300
PDBe RCSB PDBj File
Loaded
AlphaFold PA2086
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 0.783

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 40.73 0.964
2 1.73 0.031
3 0.75 0.002

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.

79 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
FAH
4B9E 1.40 Å Open crystal
78.0 Da LogP 0.04 TPSA 37.3 ✓ Ro5 ✓ Clean C(C(=O)O)F

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.