Overview
Basic information about this protein and its source genome.
- Accession
- PA2716
- Gene
- PA2716
- Status
- annotated
- Amino acids
- 411
- Structure source
- AlphaFold
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.
Sequence
Primary amino-acid sequence viewer.
MNLFDTLTLPNGSTIPNRLAKAAMEENMADAAQAPSERLMRLYQAWADGGAGLLISGNVMVDSRAMTGPGGVVLEDDAQLEKFRRWARIGRSAGAQFWLQINHPGRQMQANLGQQAWAPSAVPLELGGMSRHFATPKAMDEAMIAEVIQRFARSAGLAERAGFSGVEIHAAHGYLLSQFLSPLSNRRSDAWGGSLENRARLLLEIVRAVRAEVAPGFAVAVKLNSADFQRGGFSADDAREVVRMLDGLGVDLVELSGGSYEAPAMQGEARDGRTLAREAYFVEFARDIRAAARMPVMVTGGIRRRPVAEQVLASGVDMVGIGTALAIEPNLPRDWRAGKDSAPQLRPITWRNKPLASLANMAAVKFQLRKLSRGRATNPRVSPLCALLAQQAGALLQTRRYRRLMRSRAEA
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
2- GO:0010181 Binding to flavin mono nucleotide. Flavin mono nucleotide (FMN) is the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
- 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.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 375 | PANTHER | PTHR43656 | BINDING OXIDOREDUCTASE, PUTATIVE (AFU_ORTHOLOGUE AFUA_2G08260)-RELATED |
| 2 | 349 | SUPERFAMILY | SSF51395 | FMN-linked oxidoreductases |
| 3 | 334 | Pfam | PF00724 | NADH:flavin oxidoreductase / NADH oxidase family |
| 3 | 334 | InterPro | IPR001155 | NADH:flavin oxidoreductase/NADH oxidase, N-terminal |
| 3 | 338 | CDD | cd04733 | OYE_like_2_FMN |
| 1 | 372 | Gene3D | G3DSA:3.20.20.70 | Aldolase class I |
| 1 | 372 | InterPro | IPR013785 | Aldolase-type TIM barrel |
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
PA2716
|
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 | 0.753 |
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 |
|---|---|---|---|---|---|---|
| BTB | Q5KXG9 | 209.2 Da LogP -3.01 TPSA 104.4 | ✓ Ro5 | ✓ Clean |
C(CO)N(CCO)C(CO)(CO)CO
|
|
| HBA | P54550 | 122.1 Da LogP 1.20 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1C=O)O
|
|
| J5H | E1YD54 | 921.7 Da LogP 1.13 TPSA 363.6 | 3 viol. | ✓ Clean |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([…
|
|
| MLI | B8G5D6 | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=O)[O-]
|
|
| NPO | P54550 | 139.1 Da LogP 1.30 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1[N+](=O)[O-])O
|
|
| TXD | B0KAH1 | 667.5 Da LogP -3.30 TPSA 317.6 | 3 viol. | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
|
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 |
|---|---|---|---|---|---|
| ZINC1615342 | 1.000 | 209.2 Da LogP -3.01 TPSA 104.4 | ✓ Ro5 | ✓ Clean |
OCCN(CCO)C(CO)(CO)CO
|
| ZINC1507107 | 0.857 | 215.2 Da LogP 2.97 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(-c2ccc(O)cc2)cc1
|
| 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
|
| ZINC2386334759 | 0.727 | 226.2 Da LogP 3.62 TPSA 62.0 | ✓ Ro5 | Alert |
O=Cc1ccc(N=Nc2ccc(O)cc2)cc1
|
| ZINC8586019 | 0.681 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC21982756 | 0.667 | 299.3 Da LogP 2.63 TPSA 69.9 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1
|
| ZINC33835370 | 0.667 | 273.2 Da LogP 2.94 TPSA 104.5 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1
|
| ZINC1604377 | 0.619 | 320.3 Da LogP 4.84 TPSA 86.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(-c2ccc(-c3ccc([N+](=O)[O-])cc…
|
| ZINC1648209 | 0.619 | 244.2 Da LogP 3.17 TPSA 86.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
|
| ZINC2173334 | 0.609 | 300.2 Da LogP 2.57 TPSA 120.4 | ✓ Ro5 | Alert |
O=C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[…
|
| ZINC145787882 | 0.600 | 259.2 Da LogP 2.52 TPSA 89.7 | ✓ Ro5 | ✓ Clean |
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
|
| ZINC18036964 | 0.600 | 242.2 Da LogP 3.05 TPSA 75.7 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(/C=N/c2ccc(O)cc2)cc1
|
| ZINC18099346 | 0.600 | 242.2 Da LogP 3.05 TPSA 75.7 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(/N=C/c2ccc(O)cc2)cc1
|
| ZINC225997 | 0.600 | 258.2 Da LogP 2.55 TPSA 92.5 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1
|
| ZINC36019045 | 0.600 | 276.2 Da LogP 2.58 TPSA 126.7 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(O)c(-c2cc([N+](=O)[O-])ccc2O)…
|
| ZINC369682 | 0.600 | 294.3 Da LogP 2.10 TPSA 109.5 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1
|
| ZINC1688116 | 0.583 | 272.2 Da LogP 2.73 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])c…
|
| ZINC5731136 | 0.581 | 278.3 Da LogP 2.44 TPSA 92.5 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc([S@](=O)Nc2ccc(O)cc2)cc1
|
| ZINC5731137 | 0.581 | 278.3 Da LogP 2.44 TPSA 92.5 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc([S@@](=O)Nc2ccc(O)cc2)cc1
|
| ZINC114628575 | 0.579 | 236.3 Da LogP 3.48 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
O=Cc1ccc(/C=C\c2ccc(C=O)cc2)cc1
|
| ZINC116811203 | 0.579 | 286.3 Da LogP 4.65 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
O=Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1
|
| ZINC13319959 | 0.579 | 212.2 Da LogP 3.27 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
Oc1ccc(/C=C\c2ccc(O)cc2)cc1
|
| ZINC1510311 | 0.579 | 212.2 Da LogP 3.27 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
Oc1ccc(/C=C/c2ccc(O)cc2)cc1
|
| ZINC1875408805 | 0.579 | 212.2 Da LogP 3.27 TPSA 40.5 | ✓ Ro5 | ✓ Clean |
Oc1ccc(C=Cc2ccc(O)cc2)cc1
|
| ZINC2041311 | 0.579 | 210.2 Da LogP 2.98 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
O=Cc1ccc(-c2ccc(C=O)cc2)cc1
|
| ZINC33847575 | 0.579 | 236.3 Da LogP 3.48 TPSA 34.1 | ✓ Ro5 | ✓ Clean |
O=Cc1ccc(/C=C/c2ccc(C=O)cc2)cc1
|
| ZINC2539986 | 0.571 | 215.2 Da LogP 2.97 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(-c2cccc(O)c2)cc1
|
| ZINC33427614 | 0.571 | 215.2 Da LogP 2.97 TPSA 63.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1cccc(-c2ccc(O)cc2)c1
|
| ZINC1511626 | 0.565 | 249.0 Da LogP 2.20 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(I)cc1
|
| ZINC1666827 | 0.565 | 202.0 Da LogP 2.36 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(Br)cc1
|
| ZINC1750178 | 0.563 | 272.3 Da LogP 2.48 TPSA 92.5 | ✓ Ro5 | ✓ Clean |
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1
|
| ZINC4616626 | 0.563 | 257.2 Da LogP 2.75 TPSA 87.8 | ✓ Ro5 | Alert |
O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)cc2)cc1
|
| ZINC7718004 | 0.563 | 269.3 Da LogP 3.20 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
|
| ZINC104058859 | 0.560 | 395.3 Da LogP 3.70 TPSA 149.7 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(C(O)(c2ccc([N+](=O)[O-])cc2)c…
|
| ZINC2584252 | 0.560 | 203.2 Da LogP 0.84 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1
|
| ZINC1712904 | 0.542 | 276.3 Da LogP 3.65 TPSA 86.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
|
| ZINC3205133 | 0.542 | 268.2 Da LogP 2.90 TPSA 86.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1
|
| ZINC66139588 | 0.542 | 379.3 Da LogP 4.59 TPSA 129.4 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2cc…
|
| ZINC72400680 | 0.542 | 380.3 Da LogP 4.88 TPSA 132.7 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2cc…
|
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.