Protein profile

PA1931

ferredoxin

Genome: NC_002516.2

Gene: PA1931 Structure source: AlphaFold UniProt Q9I2H3
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Amino acids 170
Annotations 5
Features 18
PDB binders 5
Druggability 0.506

Overview

Basic information about this protein and its source genome.

Accession
PA1931
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1931
Status
annotated
Amino acids
170
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:0016903 Catalysis of an oxidation-reduction (redox) reaction in which an aldehyde or ketone (oxo) group acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
38.667
Human E-value
1.21e-14
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 0.506
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • 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:0016903 Catalysis of an oxidation-reduction (redox) reaction in which an aldehyde or ketone (oxo) group acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.
  • GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
2 160 PANTHER PTHR45331 OXIDOREDUCTASE, IRON-SULPHUR BINDING SUBUNIT-RELATED-RELATED
4 83 Gene3D G3DSA:3.10.20.30 -
4 83 InterPro IPR012675 Beta-grasp domain superfamily
2 83 FunFam G3DSA:3.10.20.30:FF:000020 Xanthine dehydrogenase iron-sulfur subunit
15 67 Pfam PF00111 2Fe-2S iron-sulfur cluster binding domain
15 67 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
9 96 SUPERFAMILY SSF54292 2Fe-2S ferredoxin-like
9 96 InterPro IPR036010 2Fe-2S ferredoxin-like superfamily
84 166 Gene3D G3DSA:1.10.150.120 -
92 163 SUPERFAMILY SSF47741 CO dehydrogenase ISP C-domain like
92 163 InterPro IPR036884 [2Fe-2S]-binding domain superfamily
9 85 ProSiteProfiles PS51085 2Fe-2S ferredoxin-type iron-sulfur binding domain profile.
9 85 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
81 153 Pfam PF01799 [2Fe-2S] binding domain
81 153 InterPro IPR002888 [2Fe-2S]-binding
47 55 ProSitePatterns PS00197 2Fe-2S ferredoxin-type iron-sulfur binding region signature.
47 55 InterPro IPR006058 2Fe-2S ferredoxin, iron-sulphur binding site
84 166 FunFam G3DSA:1.10.150.120:FF:000003 Carbon monoxide dehydrogenase, small subunit

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 PA1931
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 0.506
3 0.331

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
CSD
5G5H
P77165 153.2 Da LogP -1.38 TPSA 100.6 ✓ Ro5 ✓ Clean C([C@@H](C(=O)O)N)[S@@](=O)O
FES
1FFU
P19915 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
5G5G
P77165 161.0 Da LogP 0.14 TPSA 34.1 ✓ Ro5 ✓ Clean O=[Mo](=O)S
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.