Overview
Basic information about this protein and its source genome.
- Accession
- PA2575
- Gene
- PA2575
- Status
- annotated
- Amino acids
- 200
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- Unknown
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
4- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- 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:0034599 Any process that results in a change in state or activity of a cell (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.
- GO:0016657 OBSOLETE. Catalysis of an oxidation-reduction (redox) reaction in which NADH or NADPH acts as a hydrogen or electron donor and reduces a nitrogenous group.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 200 | Gene3D | G3DSA:3.40.109.10 | NADH Oxidase |
| 2 | 200 | InterPro | IPR000415 | Nitroreductase-like |
| 9 | 177 | Pfam | PF00881 | Nitroreductase family |
| 9 | 177 | InterPro | IPR029479 | Nitroreductase |
| 2 | 199 | PANTHER | PTHR43035 | FATTY ACID REPRESSION MUTANT PROTEIN 2-RELATED |
| 2 | 199 | InterPro | IPR033877 | Nitroreductase Frm2/Hbn1-like |
| 5 | 199 | SUPERFAMILY | SSF55469 | FMN-dependent nitroreductase-like |
| 5 | 199 | InterPro | IPR000415 | Nitroreductase-like |
| 5 | 196 | CDD | cd02140 | Frm2-like |
| 5 | 196 | InterPro | IPR033877 | Nitroreductase Frm2/Hbn1-like |
| 2 | 199 | FunFam | G3DSA:3.40.109.10:FF:000001 | Nitroreductase family |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
Loading 3D structure...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA2575
|
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 | 0.943 | ||||||
| 4 | 0.202 |
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.
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.
No PDB structure with a co-crystallized ligand found for this exact protein.
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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CLM | Q9CED0 | 323.1 Da LogP 0.91 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=…
|
|
| NIO | Q9CED0 | 123.1 Da LogP 0.78 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
c1cc(cnc1)C(=O)O
|
|
| NPO | Q9CED0 | 139.1 Da LogP 1.30 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1[N+](=O)[O-])O
|
|
| RLM | Q9CED0 | 270.1 Da LogP 4.15 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1Nc2cc(c(c(c2)Cl)O)Cl)O
|
|
| YHX | Q9CED0 | 190.2 Da LogP 1.38 TPSA 70.1 | ✓ Ro5 | Alert |
c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-]
|
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL hits found through similar proteins.
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC2527896 | 1.000 | 270.1 Da LogP 4.15 TPSA 52.5 | ✓ Ro5 | ✓ Clean |
Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1
|
| ZINC1507107 | 0.857 | 215.2 Da LogP 2.97 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(-c2ccc(O)cc2)cc1
|
| ZINC13355879 | 0.780 | 282.3 Da LogP 0.76 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(C)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-]…
|
| ZINC13355883 | 0.780 | 282.3 Da LogP 0.76 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])…
|
| ZINC13355887 | 0.780 | 282.3 Da LogP 0.76 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(C)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-…
|
| ZINC13355891 | 0.780 | 282.3 Da LogP 0.76 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(C)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-]…
|
| ZINC1471740333 | 0.780 | 284.3 Da LogP -0.51 TPSA 132.9 | ✓ Ro5 | ✓ Clean |
C[C@@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)…
|
| ZINC271683717 | 0.780 | 284.3 Da LogP -0.51 TPSA 132.9 | ✓ Ro5 | ✓ Clean |
C[C@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[…
|
| ZINC100009138 | 0.750 | 243.2 Da LogP 3.72 TPSA 88.1 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(/N=N\c2ccc(O)cc2)cc1
|
| ZINC100009140 | 0.750 | 243.2 Da LogP 3.72 TPSA 88.1 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(/N=N/c2ccc(O)cc2)cc1
|
| ZINC13836765 | 0.750 | 247.3 Da LogP 3.45 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(Sc2ccc(O)cc2)cc1
|
| ZINC1562026 | 0.750 | 229.2 Da LogP 2.89 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(Cc2ccc(O)cc2)cc1
|
| ZINC189331 | 0.750 | 279.3 Da LogP 2.13 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
|
| ZINC1911545360 | 0.750 | 241.2 Da LogP 3.47 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(C=Cc2ccc(O)cc2)cc1
|
| ZINC225426 | 0.750 | 241.2 Da LogP 3.47 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)cc1
|
| ZINC254392989 | 0.750 | 243.2 Da LogP 3.72 TPSA 88.1 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2)cc1
|
| ZINC33246164 | 0.750 | 241.2 Da LogP 3.47 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(/C=C\c2ccc(O)cc2)cc1
|
| ZINC370769 | 0.750 | 231.2 Da LogP 3.09 TPSA 72.6 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(Oc2ccc(O)cc2)cc1
|
| ZINC38237571 | 0.750 | 243.2 Da LogP 2.53 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
|
| ZINC8419013 | 0.750 | 230.2 Da LogP 3.04 TPSA 75.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)cc1
|
| ZINC1592410 | 0.739 | 212.2 Da LogP 1.54 TPSA 59.9 | ✓ Ro5 | Alert |
O=C(C(=O)c1cccnc1)c1cccnc1
|
| ZINC174037 | 0.732 | 254.2 Da LogP 0.13 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
|
| ZINC174039 | 0.732 | 254.2 Da LogP 0.13 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
|
| ZINC174040 | 0.732 | 254.2 Da LogP 0.13 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1
|
| ZINC174042 | 0.732 | 254.2 Da LogP 0.13 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1
|
| ZINC2014950 | 0.732 | 270.2 Da LogP -0.90 TPSA 132.9 | ✓ Ro5 | ✓ Clean |
O=C(CO)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
|
| ZINC3607770 | 0.714 | 268.3 Da LogP 0.52 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
|
| ZINC21982756 | 0.667 | 299.3 Da LogP 2.63 TPSA 69.9 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
|
| ZINC2697414 | 0.667 | 312.3 Da LogP -0.03 TPSA 150.0 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[…
|
| ZINC2697416 | 0.667 | 312.3 Da LogP -0.03 TPSA 150.0 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O…
|
| ZINC2697417 | 0.667 | 312.3 Da LogP -0.03 TPSA 150.0 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)…
|
| ZINC2697419 | 0.667 | 312.3 Da LogP -0.03 TPSA 150.0 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[…
|
| ZINC33835370 | 0.667 | 273.2 Da LogP 2.94 TPSA 104.5 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1
|
| ZINC100077468 | 0.643 | 225.2 Da LogP 2.54 TPSA 47.0 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1ccccc1
|
| ZINC2541612 | 0.638 | 312.3 Da LogP 1.51 TPSA 121.9 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[…
|
| ZINC2792614 | 0.638 | 330.3 Da LogP 1.73 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O…
|
| ZINC2792615 | 0.638 | 330.3 Da LogP 1.73 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-…
|
| ZINC2792616 | 0.638 | 330.3 Da LogP 1.73 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[…
|
| ZINC2792617 | 0.638 | 330.3 Da LogP 1.73 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O…
|
| ZINC3122276 | 0.638 | 331.3 Da LogP 1.81 TPSA 124.7 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)…
|
| ZINC3122277 | 0.638 | 331.3 Da LogP 1.81 TPSA 124.7 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[…
|
| ZINC3122278 | 0.638 | 331.3 Da LogP 1.81 TPSA 124.7 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O…
|
| ZINC3122279 | 0.638 | 331.3 Da LogP 1.81 TPSA 124.7 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)…
|
| ZINC3257119 | 0.638 | 420.5 Da LogP 3.33 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@H](O)c1c…
|
| ZINC3257121 | 0.638 | 420.5 Da LogP 3.33 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@H](O)c1cc…
|
| ZINC3257123 | 0.638 | 420.5 Da LogP 3.33 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@@H](O)c1…
|
| ZINC3257126 | 0.638 | 420.5 Da LogP 3.33 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@@H](O)c1c…
|
| ZINC8419477 | 0.633 | 200.2 Da LogP 1.84 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cncc(-c2cccnc2)c1
|
| ZINC100083979 | 0.630 | 226.2 Da LogP 1.93 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1cccnc1
|
| ZINC84742995 | 0.625 | 310.4 Da LogP 1.69 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([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.