Protein profile

PA4061

thioredoxin

Genome: NC_002516.2

Gene: PA4061 Structure source: AlphaFold UniProt Q9HWW7
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Amino acids 289
Annotations 4
Features 25
PDB binders 5
Druggability 0.779

Overview

Basic information about this protein and its source genome.

Accession
PA4061
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4061
Status
annotated
Amino acids
289
Structure source
AlphaFold
GO
GO:0015035 Catalysis of the reaction: a protein with reduced sulfide groups = a protein with oxidized disulfide bonds. GO:0045454 Any process that maintains the redox environment of a cell or compartment within a cell. GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation). GO:0005515 Binding to a protein.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
41.176
Human E-value
3.14e-12
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 0.779
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0015035 Catalysis of the reaction: a protein with reduced sulfide groups = a protein with oxidized disulfide bonds.
  • GO:0045454 Any process that maintains the redox environment of a cell or compartment within a cell.
  • GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).
  • GO:0005515 Binding to a protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

25 records
Show feature table
Start End DB Term Name
125 247 SUPERFAMILY SSF48452 TPR-like
125 247 InterPro IPR011990 Tetratricopeptide-like helical domain superfamily
29 47 ProSitePatterns PS00194 Thioredoxin family active site.
29 47 InterPro IPR017937 Thioredoxin, conserved site
200 289 Pfam PF14561 Tetratricopeptide repeat
6 114 Gene3D G3DSA:3.40.30.10 Glutaredoxin
129 195 Pfam PF14559 Tetratricopeptide repeat
9 108 Pfam PF00085 Thioredoxin
9 108 InterPro IPR013766 Thioredoxin domain
36 45 PRINTS PR00421 Thioredoxin family signature
28 36 PRINTS PR00421 Thioredoxin family signature
76 87 PRINTS PR00421 Thioredoxin family signature
5 113 SUPERFAMILY SSF52833 Thioredoxin-like
5 113 InterPro IPR036249 Thioredoxin-like superfamily
13 109 CDD cd02956 ybbN
1 113 ProSiteProfiles PS51352 Thioredoxin domain profile.
1 113 InterPro IPR013766 Thioredoxin domain
13 110 NCBIfam TIGR01068 thioredoxin
13 110 InterPro IPR005746 Thioredoxin
10 110 PANTHER PTHR45663 GEO12009P1
202 289 Gene3D G3DSA:1.25.40.10 Tetratricopeptide repeat domain
202 289 InterPro IPR011990 Tetratricopeptide-like helical domain superfamily
2 112 FunFam G3DSA:3.40.30.10:FF:000001 Thioredoxin
116 201 Gene3D G3DSA:1.25.40.10 Tetratricopeptide repeat domain
116 201 InterPro IPR011990 Tetratricopeptide-like helical 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.

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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 PA4061
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 0.779
10 0.617

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.

55 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
2CV
6H7N
P0AA25 379.5 Da LogP -0.62 TPSA 141.7 1 viol. ✓ Clean CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO…
CAC
1NW2
P80579 137.0 Da LogP -0.52 TPSA 40.1 ✓ Ro5 ✓ Clean C[As](=O)(C)[O-]
EVU
6LUR
P0AA25 281.4 Da LogP 1.75 TPSA 58.4 ✓ Ro5 ✓ Clean c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3
FVK
6H7N
P0AA25 339.4 Da LogP -0.24 TPSA 103.3 ✓ Ro5 ✓ Clean c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)O
PX5
3O6T
P9WG67 243.3 Da LogP 2.18 TPSA 50.2 ✓ Ro5 ✓ Clean c1ccc2c(c1)nc(s2)C3(C=CC(=O)C=C3)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.