Protein profile

PA1024

nitronate monooxygenase

Genome: NC_002516.2

Gene: PA1024 Structure source: Experimental + AlphaFold UniProt Q9I4V0
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Amino acids 328
Annotations 5
Features 9
PDB binders 4
Druggability 0.772

Overview

Basic information about this protein and its source genome.

Accession
PA1024
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1024
Status
annotated
Amino acids
328
Structure source
Experimental + AlphaFold
EC
1.6.5.9
GO
GO:0050136 Catalysis of the reaction: NADH + H+ + a quinone = NAD+ + a quinol. GO:0018580 Catalysis of the reaction: ethylnitronate + O2 = acetaldehyde + nitrite. GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose. 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
No hit
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 0.772
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0050136 Catalysis of the reaction: NADH + H+ + a quinone = NAD+ + a quinol.
  • GO:0018580 Catalysis of the reaction: ethylnitronate + O2 = acetaldehyde + nitrite.
  • GO:0000166 Binding to a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
  • 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.

9 records
Show feature table
Start End DB Term Name
1 328 FunFam G3DSA:3.20.20.70:FF:000423 NADH:quinone reductase
1 328 Gene3D G3DSA:3.20.20.70 Aldolase class I
1 328 InterPro IPR013785 Aldolase-type TIM barrel
15 241 CDD cd04730 NPD_like
15 241 InterPro IPR004136 Nitronate monooxygenase
6 311 Pfam PF03060 Nitronate monooxygenase
6 311 InterPro IPR004136 Nitronate monooxygenase
5 318 SUPERFAMILY SSF51412 Inosine monophosphate dehydrogenase (IMPDH)
3 321 PANTHER PTHR32332 2-NITROPROPANE DIOXYGENASE

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

3 + 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 2GJL
X-ray 2.00 Å A
100.0% 1-328
PDBe RCSB PDBj File
Viewing
PDB 6E2A
X-ray 2.20 Å A
100.0% 1-328
PDBe RCSB PDBj File
Loaded
PDB 2GJN
X-ray 2.30 Å A
100.0% 1-328
PDBe RCSB PDBj File
Loaded
AlphaFold PA1024
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 0.772

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 64.87 0.99
2 4.09 0.164
3 2.12 0.049

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.

69 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
NIS
2GJN 2.30 Å Open crystal
89.1 Da LogP 0.67 TPSA 43.1 ✓ Ro5 ✓ Clean CC(C)[N+](=O)[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.