Protein profile

PA2379

oxidoreductase

Genome: NC_002516.2

Gene: PA2379 Structure source: AlphaFold UniProt Q9I1A0
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Amino acids 156
Annotations 4
Features 19
PDB binders 6
Druggability 0.303

Overview

Basic information about this protein and its source genome.

Accession
PA2379
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2379
Status
annotated
Amino acids
156
Structure source
AlphaFold
GO
GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands. GO:0046872 Binding to a metal ion. GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
34.091
Human E-value
6.01e-11
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 0.303
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands.
  • GO:0046872 Binding to a metal ion.
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
  • GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records
Show feature table
Start End DB Term Name
137 156 Coils Coil Coil
5 59 Pfam PF00111 2Fe-2S iron-sulfur cluster binding domain
5 59 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
38 46 ProSitePatterns PS00197 2Fe-2S ferredoxin-type iron-sulfur binding region signature.
38 46 InterPro IPR006058 2Fe-2S ferredoxin, iron-sulphur binding site
1 76 ProSiteProfiles PS51085 2Fe-2S ferredoxin-type iron-sulfur binding domain profile.
1 76 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
1 74 Gene3D G3DSA:3.10.20.30 -
1 74 InterPro IPR012675 Beta-grasp domain superfamily
83 152 SUPERFAMILY SSF47741 CO dehydrogenase ISP C-domain like
83 152 InterPro IPR036884 [2Fe-2S]-binding domain superfamily
2 51 CDD cd00207 fer2
2 51 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
2 76 SUPERFAMILY SSF54292 2Fe-2S ferredoxin-like
2 76 InterPro IPR036010 2Fe-2S ferredoxin-like superfamily
72 144 Pfam PF01799 [2Fe-2S] binding domain
72 144 InterPro IPR002888 [2Fe-2S]-binding
75 156 Gene3D G3DSA:1.10.150.120 -
2 154 PANTHER PTHR44379 OXIDOREDUCTASE WITH IRON-SULFUR SUBUNIT

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

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 PA2379
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
1 0.303

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.

56 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
FES
1RM6
O33818 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1
MCN
1T3Q
P72223 696.5 Da LogP -1.29 TPSA 319.9 3 viol. ✓ Clean C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)C…
MOS
3HRD
Q0QLF3 161.0 Da LogP 0.14 TPSA 34.1 ✓ Ro5 ✓ Clean O=[Mo](=O)S
NIO
3HRD
Q0QLF3 123.1 Da LogP 0.78 TPSA 50.2 ✓ Ro5 ✓ Clean c1cc(cnc1)C(=O)O
SE
3HRD
Q0QLF3 81.0 Da LogP -0.92 TPSA 0.0 ✓ Ro5 ✓ Clean [SeH2]
SMO
1T3Q
P72223 160.0 Da LogP 0.41 TPSA 34.1 ✓ Ro5 ✓ Clean O=[Mo](=O)=S

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.