Overview
Basic information about this protein and its source genome.
- Accession
- PA2806
- Gene
- PA2806 queF
- Status
- annotated
- Amino acids
- 276
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- 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.
Sequence
Primary amino-acid sequence viewer.
MQHPAEHSPLGKTSEYVSSYTPSLLFPISRTAKWAELGLSAETLPYRGVDIWNCYELSWLTPAGKPVVAIGEFSIPADSPNIIESKSFKLYLNSLNQSAFDSREALRAVLQKDLSAAVGAPVGVRLRSLDEVAEEGIGRLPGRCIDELDIAVDGYEQPRPELLRCDAGRIVEEQLYSHLLKSNCPVTGQPDWGTLVVDYRGPALDPASLLAYLVSFRQHQDFHEQCVERIFLDLQRLLQPQALSVYARYVRRGGLDINPYRSLAEVAPDNRRLVRQ
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
5- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0033739 Catalysis of the reaction: 7-aminomethyl-7-carbaguanine + 2 NADP+ = 7-cyano-7-deazaguanine + 2 NADPH + 3 H+.
- GO:0008616 The chemical reactions and pathways resulting in the formation of queuosines, a series of nucleosides found in position 34 of tRNA and having an additional pentenyl ring added via an NH group to the methyl group of 7-methylguanosine. The pentenyl ring may carry other substituents. The wobble nucleoside of the tRNA sequence (position 34) corresponds to the first position of the anticodon.
- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0046857 Catalysis of an oxidation-reduction (redox) reaction in which a nitrogenous group, excluding NH and NH2 groups, acts as a hydrogen or electron donor and reduces NAD or NADP.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 139 | 276 | Gene3D | G3DSA:3.30.1130.10 | - |
| 139 | 276 | InterPro | IPR043133 | GTP cyclohydrolase I, C-terminal/NADPH-dependent 7-cyano-7-deazaguanine reductase |
| 190 | 262 | Pfam | PF14489 | QueF-like protein |
| 190 | 262 | InterPro | IPR029500 | NADPH-dependent 7-cyano-7-deazaguanine reductase QueF |
| 16 | 134 | Gene3D | G3DSA:3.30.1130.10 | - |
| 16 | 134 | InterPro | IPR043133 | GTP cyclohydrolase I, C-terminal/NADPH-dependent 7-cyano-7-deazaguanine reductase |
| 5 | 276 | PANTHER | PTHR34354 | NADPH-DEPENDENT 7-CYANO-7-DEAZAGUANINE REDUCTASE |
| 1 | 276 | Hamap | MF_00817 | NADPH-dependent 7-cyano-7-deazaguanine reductase [queF]. |
| 1 | 276 | InterPro | IPR016428 | NADPH-dependent 7-cyano-7-deazaguanine reductase, QueF type 2 |
| 5 | 276 | NCBIfam | TIGR03138 | NADPH-dependent 7-cyano-7-deazaguanine reductase QueF |
| 5 | 276 | InterPro | IPR016428 | NADPH-dependent 7-cyano-7-deazaguanine reductase, QueF type 2 |
| 16 | 126 | Pfam | PF14819 | Nitrile reductase, 7-cyano-7-deazaguanine-reductase N-term |
| 16 | 126 | InterPro | IPR029139 | NADPH-dependent 7-cyano-7-deazaguanine reductase, N-terminal |
| 132 | 259 | SUPERFAMILY | SSF55620 | Tetrahydrobiopterin biosynthesis enzymes-like |
| 1 | 276 | PIRSF | PIRSF004750 | Nitrile_oxidored_YqcD |
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
PA2806
|
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 | 0.668 |
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 |
|---|---|---|---|---|---|---|
| CYT | Q9KTK0 | 111.1 Da LogP -0.65 TPSA 71.8 | ✓ Ro5 | ✓ Clean |
C1=C(NC(=O)N=C1)N
|
|
| GD1 | O31678 | 177.2 Da LogP -0.17 TPSA 111.4 | ✓ Ro5 | ✓ Clean |
[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N
|
|
| GUN | Q9KTK0 | 151.1 Da LogP -0.77 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
c1[nH]c2c(n1)C(=O)NC(=N2)N
|
|
| POP | Q9KTK0 | 176.0 Da LogP -2.08 TPSA 129.9 | ✓ Ro5 | ✓ Clean |
O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
|
|
| PQ0 | O31678 | 175.2 Da LogP -0.29 TPSA 111.3 | ✓ Ro5 | ✓ Clean |
c1c(c2c([nH]1)N=C(NC2=O)N)C#N
|
|
| PRF | Q9KTK0 | 179.2 Da LogP -0.71 TPSA 113.6 | ✓ Ro5 | ✓ Clean |
c1c(c2c([nH]1)N=C(NC2=O)N)CN
|
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 |
|---|---|---|---|---|---|
| ZINC9974955 | 0.625 | 215.0 Da LogP 0.41 TPSA 74.4 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c(Br)nc2[nH]cnc12
|
| ZINC34027886 | 0.611 | 229.0 Da LogP 0.60 TPSA 87.6 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]cc(Br)c2c(=O)[nH]1
|
| ZINC87493283 | 0.595 | 276.0 Da LogP 0.44 TPSA 87.6 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]cc(I)c2c(=O)[nH]1
|
| ZINC38265853 | 0.591 | 309.3 Da LogP 0.63 TPSA 124.9 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]cc(CN3C(=O)c4ccccc4C3=O)c2c(=O)[nH]1
|
| ZINC6622451 | 0.553 | 277.3 Da LogP -1.42 TPSA 140.0 | 1 viol. | ✓ Clean |
Nc1nc2[nH]cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2c(=O…
|
| ZINC38339128 | 0.531 | 312.3 Da LogP 1.41 TPSA 113.9 | ✓ Ro5 | ✓ Clean |
COC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1
|
| ZINC12428236 | 0.529 | 232.2 Da LogP -0.74 TPSA 146.4 | ✓ Ro5 | ✓ Clean |
Nc1c2nc[nH]c2c(N)c2[nH]c(=O)c(=O)[nH]c12
|
| ZINC38951682 | 0.524 | 208.2 Da LogP -0.38 TPSA 113.9 | ✓ Ro5 | ✓ Clean |
COC(=O)c1c[nH]c2nc(N)[nH]c(=O)c12
|
| ZINC196552483 | 0.517 | 255.5 Da LogP 2.25 TPSA 49.0 | ✓ Ro5 | ✓ Clean |
C[Si](C)(C)N(c1ccnc(=O)[nH]1)[Si](C)(C)C
|
| ZINC44832048 | 0.512 | 352.1 Da LogP 2.10 TPSA 87.6 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]cc(-c3ccc(I)cc3)c2c(=O)[nH]1
|
| ZINC1511379 | 0.500 | 230.0 Da LogP -0.01 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]c(Br)nc2c(=O)[nH]1
|
| ZINC238628781 | 0.500 | 213.2 Da LogP 0.71 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c(-c2ccccn2)nc2[nH]cnc12
|
| ZINC4878369 | 0.500 | 277.0 Da LogP -0.17 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]c(I)nc2c(=O)[nH]1
|
| ZINC72399637 | 0.500 | 395.4 Da LogP 0.84 TPSA 151.2 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]cc(CCc3ccc(C(=O)ON4C(=O)CCC4=O)cc3)c2…
|
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.