Protein profile
PA0655
2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol hydroxylase
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA0655
- Gene
- PA0655 coq7
- Status
- annotated
- Amino acids
- 215
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 29.114
- Human E-value
- 2.34e-06
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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.
Enzyme Commission (EC)
1Gene Ontology (GO)
6- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
- GO:0008682 Catalysis of the reaction: a 6-methoxy-3-methyl-2-all-trans-polyprenyl-1,4-benzoquinol + donor-H2 + O2 = acceptor + a 3-demethylubiquinol + H2O.
- GO:0046872 Binding to a metal ion.
- GO:0004497 Catalysis of the incorporation of one atom of molecular oxygen (O2) into the substrate and the reduction of the other atom of O2 to water.
- GO:0006744 The chemical reactions and pathways resulting in the formation of ubiquinone, a lipid-soluble electron-transporting coenzyme.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 53 | 214 | CDD | cd01042 | DMQH |
| 53 | 214 | InterPro | IPR011566 | Ubiquinone biosynthesis protein Coq7 |
| 11 | 211 | PANTHER | PTHR11237 | COENZYME Q10 BIOSYNTHESIS PROTEIN 7 |
| 11 | 211 | InterPro | IPR011566 | Ubiquinone biosynthesis protein Coq7 |
| 14 | 215 | Hamap | MF_01658 | 3-demethoxyubiquinol 3-hydroxylase [coq7]. |
| 14 | 215 | InterPro | IPR011566 | Ubiquinone biosynthesis protein Coq7 |
| 46 | 188 | FunFam | G3DSA:1.20.1260.10:FF:000013 | 2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol hydroxylase |
| 51 | 183 | SUPERFAMILY | SSF47240 | Ferritin-like |
| 51 | 183 | InterPro | IPR009078 | Ferritin-like superfamily |
| 52 | 209 | Pfam | PF03232 | Ubiquinone biosynthesis protein COQ7 |
| 11 | 215 | NCBIfam | NF033656 | 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone monooxygenase |
| 11 | 215 | InterPro | IPR047809 | Ubiquinone biosynthesis protein Coq7, proteobacteria |
| 46 | 188 | Gene3D | G3DSA:1.20.1260.10 | - |
| 46 | 188 | InterPro | IPR012347 | Ferritin-like |
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
PA0655
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.846 |
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.
No PDB ligands found through similar proteins.
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CQL | Q99807 | — | 305.5 Da LogP 3.20 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
c1cc2c(cc(c(c2nc1)O)I)Cl
|
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 |
|---|---|---|---|---|---|
| ZINC6409735 | 1.000 | 305.5 Da LogP 3.20 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(I)cc(Cl)c2cccnc12
|
| ZINC1131 | 0.719 | 214.1 Da LogP 3.25 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(Cl)cc(Cl)c2cccnc12
|
| ZINC3830942 | 0.719 | 397.0 Da LogP 3.15 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(I)cc(I)c2cccnc12
|
| ZINC2243 | 0.657 | 258.5 Da LogP 3.36 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(Br)cc(Cl)c2cccnc12
|
| ZINC207365383 | 0.605 | 207.6 Da LogP 2.41 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=Cc1cc(Cl)c2cccnc2c1O
|
| ZINC27652957 | 0.605 | 208.6 Da LogP 2.05 TPSA 59.1 | ✓ Ro5 | Alert |
NCc1cc(Cl)c2cccnc2c1O
|
| ZINC90715335 | 0.605 | 271.7 Da LogP 3.97 TPSA 53.4 | ✓ Ro5 | ✓ Clean |
Oc1ccccc1-c1cc(Cl)c2cccnc2c1O
|
| ZINC1649071 | 0.590 | 313.1 Da LogP 2.75 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
CC(=O)c1cc(I)c(O)c2ncccc12
|
| ZINC19336232 | 0.590 | 351.1 Da LogP 1.79 TPSA 87.5 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)c1cc(I)c(O)c2ncccc12
|
| ZINC59451217 | 0.590 | 259.7 Da LogP 1.84 TPSA 87.5 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)c1cc(Cl)c2cccnc2c1O
|
| ZINC82049633 | 0.588 | 289.5 Da LogP 3.49 TPSA 12.9 | ✓ Ro5 | ✓ Clean |
Clc1ccc(I)c2ncccc12
|
| ZINC122144 | 0.575 | 224.6 Da LogP 2.50 TPSA 76.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1cc(Cl)c2cccnc2c1O
|
| ZINC95837034 | 0.575 | 347.6 Da LogP 4.28 TPSA 22.1 | ✓ Ro5 | ✓ Clean |
CC(C)Oc1c(I)cc(Cl)c2cccnc12
|
| ZINC3278004 | 0.571 | 363.5 Da LogP 2.96 TPSA 59.4 | ✓ Ro5 | ✓ Clean |
O=C(O)COc1c(I)cc(Cl)c2cccnc12
|
| ZINC13207762 | 0.568 | 286.1 Da LogP 2.13 TPSA 59.1 | ✓ Ro5 | ✓ Clean |
Nc1cc(I)c2cccnc2c1O
|
| ZINC19169140 | 0.561 | 223.7 Da LogP 1.56 TPSA 71.2 | ✓ Ro5 | Alert |
NNCc1cc(Cl)c2cccnc2c1O
|
| ZINC91302119 | 0.561 | 219.7 Da LogP 3.32 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
C=CCc1cc(Cl)c2cccnc2c1O
|
| ZINC96336286 | 0.561 | 236.7 Da LogP 2.66 TPSA 36.4 | ✓ Ro5 | Alert |
CN(C)Cc1cc(Cl)c2cccnc2c1O
|
| ZINC98180195 | 0.561 | 361.2 Da LogP 4.14 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(I)cc(Cc2ccccc2)c2cccnc12
|
| ZINC1717581 | 0.558 | 296.8 Da LogP 1.38 TPSA 76.8 | ✓ Ro5 | Alert |
OCCN(CCO)Cc1cc(Cl)c2cccnc2c1O
|
| ZINC71770640 | 0.553 | 319.5 Da LogP 3.51 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Cc1ccc2c(Cl)cc(I)c(O)c2n1
|
| ZINC22148021 | 0.545 | 377.6 Da LogP 3.34 TPSA 59.4 | ✓ Ro5 | ✓ Clean |
C[C@@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)O
|
| ZINC22148026 | 0.545 | 377.6 Da LogP 3.34 TPSA 59.4 | ✓ Ro5 | ✓ Clean |
C[C@H](Oc1c(I)cc(Cl)c2cccnc12)C(=O)O
|
| ZINC947980 | 0.545 | 376.6 Da LogP 3.55 TPSA 42.4 | ✓ Ro5 | ✓ Clean |
CN(C)C(=O)Oc1c(I)cc(Cl)c2cccnc12
|
| ZINC120457 | 0.543 | 214.7 Da LogP 3.44 TPSA 25.8 | ✓ Ro5 | ✓ Clean |
Clc1cc2cccnc2c2ncccc12
|
| ZINC35731085 | 0.543 | 289.5 Da LogP 3.49 TPSA 12.9 | ✓ Ro5 | ✓ Clean |
Clc1ccnc2c(I)cccc12
|
| ZINC21670351 | 0.535 | 264.8 Da LogP 3.44 TPSA 36.4 | ✓ Ro5 | Alert |
CCN(CC)Cc1cc(Cl)c2cccnc2c1O
|
| ZINC77216 | 0.528 | 213.1 Da LogP 3.12 TPSA 38.9 | ✓ Ro5 | ✓ Clean |
Nc1c(Cl)cc(Cl)c2cccnc12
|
| ZINC19345333 | 0.523 | 262.7 Da LogP 3.19 TPSA 36.4 | ✓ Ro5 | Alert |
Oc1c(CN2CCCC2)cc(Cl)c2cccnc12
|
| ZINC1174912 | 0.522 | 404.6 Da LogP 4.33 TPSA 42.4 | ✓ Ro5 | ✓ Clean |
CCN(CC)C(=O)Oc1c(I)cc(Cl)c2cccnc12
|
| ZINC2060993784 | 0.522 | 377.6 Da LogP 3.04 TPSA 48.4 | ✓ Ro5 | ✓ Clean |
COCC(=O)Oc1c(I)cc(Cl)c2cccnc12
|
| ZINC19345335 | 0.511 | 276.8 Da LogP 3.58 TPSA 36.4 | ✓ Ro5 | Alert |
Oc1c(CN2CCCCC2)cc(Cl)c2cccnc12
|
| ZINC2048485849 | 0.511 | 286.7 Da LogP 3.07 TPSA 66.2 | ✓ Ro5 | ✓ Clean |
Oc1c([C@@H](O)c2cccnc2)cc(Cl)c2cccnc12
|
| ZINC2048485850 | 0.511 | 286.7 Da LogP 3.07 TPSA 66.2 | ✓ Ro5 | ✓ Clean |
Oc1c([C@H](O)c2cccnc2)cc(Cl)c2cccnc12
|
| ZINC21486898 | 0.511 | 290.8 Da LogP 3.97 TPSA 36.4 | ✓ Ro5 | Alert |
Oc1c(CN2CCCCCC2)cc(Cl)c2cccnc12
|
| ZINC2060999680 | 0.511 | 391.6 Da LogP 3.43 TPSA 48.4 | ✓ Ro5 | ✓ Clean |
CO[C@@H](C)C(=O)Oc1c(I)cc(Cl)c2cccnc12
|
| ZINC1432257 | 0.500 | 224.6 Da LogP 2.50 TPSA 76.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1cc(Cl)c(O)c2ncccc12
|
| ZINC1598068 | 0.500 | 316.1 Da LogP 2.45 TPSA 76.3 | ✓ Ro5 | ✓ Clean |
O=[N+]([O-])c1cc(I)c2cccnc2c1O
|
| ZINC1683313 | 0.500 | 248.5 Da LogP 3.90 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(Cl)c(Cl)c2ncccc2c1Cl
|
| ZINC1684366 | 0.500 | 271.1 Da LogP 2.55 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1ccc(I)c2cccnc12
|
| ZINC19721568 | 0.500 | 289.5 Da LogP 3.49 TPSA 12.9 | ✓ Ro5 | ✓ Clean |
Clc1cccc2c(I)ccnc12
|
| ZINC20971040 | 0.500 | 419.6 Da LogP 3.00 TPSA 65.5 | ✓ Ro5 | ✓ Clean |
CC(=O)COC(=O)COc1c(I)cc(Cl)c2cccnc12
|
| ZINC228810945 | 0.500 | 271.1 Da LogP 2.55 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1ccc(I)c2ncccc12
|
| ZINC24835841 | 0.500 | 405.6 Da LogP 3.82 TPSA 48.4 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)COc1c(I)cc(Cl)c2cccnc12
|
| ZINC27520885 | 0.500 | 271.1 Da LogP 2.55 TPSA 33.1 | ✓ Ro5 | ✓ Clean |
Oc1c(I)ccc2cccnc12
|
| ZINC947979 | 0.500 | 416.6 Da LogP 4.48 TPSA 42.4 | ✓ Ro5 | ✓ Clean |
O=C(Oc1c(I)cc(Cl)c2cccnc12)N1CCCCC1
|
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.