Protein profile

PA0785

FMN-dependent NADH-azoreductase AzoR

Genome: NC_002516.2

Gene: azoR1 PA0785 Structure source: Experimental + AlphaFold UniProt Q9I5F3
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Amino acids 212
Annotations 8
Features 10
PDB binders 13
Druggability 0.316

Overview

Basic information about this protein and its source genome.

Accession
PA0785
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
azoR1 PA0785
Status
annotated
Amino acids
212
Structure source
Experimental + AlphaFold
EC
1.6.5.- 1.7.1.17
GO
GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways. GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes. GO:0016652 Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces NAD+ or NADP. GO:0016655 Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces a quinone or a similar acceptor molecule. GO:0003960 Catalysis of the reaction: 2 a quinone + NADPH + H+ = 2 a 1,4-benzosemiquinone + NADP+. GO:0006979 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 oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
37.778
Human E-value
9.18e-08
Gut microbiome off-target
hit
Essential (DEG)
N
Localization
CytoplasmicMembrane

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 0.316
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 EC 6 GO

Enzyme Commission (EC)

2

Gene Ontology (GO)

6
  • GO:0009055 A molecular function representing the directed movement of electrons from one molecular entity to another, typically mediated by electron carriers or acceptors, resulting in the transfer of energy and/or the reduction-oxidation (redox) transformation of chemical species. This activity is fundamental to various biological processes, including cellular respiration and photosynthesis, as well as numerous enzymatic reactions involved in metabolic pathways.
  • GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
  • GO:0016652 Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces NAD+ or NADP.
  • GO:0016655 Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces a quinone or a similar acceptor molecule.
  • GO:0003960 Catalysis of the reaction: 2 a quinone + NADPH + H+ = 2 a 1,4-benzosemiquinone + NADP+.
  • GO:0006979 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 oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records
Show feature table
Start End DB Term Name
1 211 PANTHER PTHR43741 FMN-DEPENDENT NADH-AZOREDUCTASE 1
1 212 FunFam G3DSA:3.40.50.360:FF:000114 FMN-dependent NADH-azoreductase 1
3 207 Pfam PF02525 Flavodoxin-like fold
3 207 InterPro IPR003680 Flavodoxin-like fold
1 212 Gene3D G3DSA:3.40.50.360 -
1 212 InterPro IPR029039 Flavoprotein-like superfamily
1 210 SUPERFAMILY SSF52218 Flavoproteins
1 210 InterPro IPR029039 Flavoprotein-like superfamily
2 209 Hamap MF_01216 FMN dependent NADH:quinone oxidoreductase [azoR].
2 209 InterPro IPR023048 NADH:quinone oxidoreductase, FMN-dependent

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 4N65
X-ray 1.82 Å A,B
100.0% 1-212
PDBe RCSB PDBj File
Viewing
PDB 4N9Q
X-ray 2.00 Å A,B
100.0% 1-212
PDBe RCSB PDBj File
Loaded
PDB 3R6W
X-ray 2.08 Å A,B
100.0% 1-212
PDBe RCSB PDBj File
Loaded
PDB 3KEG
X-ray 2.10 Å A,B
100.0% 1-212
PDBe RCSB PDBj File
Loaded
PDB 2V9C
X-ray 2.18 Å A,B
100.0% 1-212
PDBe RCSB PDBj File
Loaded
PDB 3LT5
X-ray 2.30 Å A,B
100.0% 1-212
PDBe RCSB PDBj File
Loaded
AlphaFold PA0785
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
3 0.316
2 0.278

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 2.11 0.048
2 1.56 0.024

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.

63 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
AQN
4N65 1.82 Å Open crystal
288.3 Da LogP 1.71 TPSA 88.5 ✓ Ro5 Alert c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
BLQ
3LT5 2.30 Å Open crystal
357.3 Da LogP 0.81 TPSA 145.2 ✓ Ro5 Alert c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2)C…
MRE
3KEG 2.10 Å Open crystal
269.3 Da LogP 3.87 TPSA 65.3 ✓ Ro5 Alert CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O
NFZ
3R6W 2.08 Å Open crystal
198.1 Da LogP 0.19 TPSA 123.8 ✓ Ro5 ✓ Clean c1cc(oc1\C=N\NC(=O)N)[N+](=O)[O-]
UQ1
4N9Q 2.00 Å Open crystal
250.3 Da LogP 2.32 TPSA 52.6 ✓ Ro5 Alert CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C

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.