Amino acids
210
Annotations
3
Features
29
PDB binders
7
Druggability
0.834
Overview
Basic information about this protein and its source genome.
- Accession
- PA1397
- Gene
- PA1397
- Status
- annotated
- Amino acids
- 210
- Structure source
- AlphaFold
GO
GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.
GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
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.
FPocket
0.834
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
3 GO
Gene Ontology (GO)
3- GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
- GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.
- GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
Sequence Features
Domain/signature hits from InterPro and related databases.
29 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 4 | 121 | ProSiteProfiles | PS50110 | Response regulatory domain profile. |
| 4 | 121 | InterPro | IPR001789 | Signal transduction response regulator, receiver domain |
| 176 | 188 | PRINTS | PR00038 | LuxR bacterial regulatory protein HTH signature |
| 176 | 188 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 160 | 176 | PRINTS | PR00038 | LuxR bacterial regulatory protein HTH signature |
| 160 | 176 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 146 | 160 | PRINTS | PR00038 | LuxR bacterial regulatory protein HTH signature |
| 146 | 160 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 146 | 198 | Pfam | PF00196 | Bacterial regulatory proteins, luxR family |
| 146 | 198 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 5 | 117 | Pfam | PF00072 | Response regulator receiver domain |
| 5 | 117 | InterPro | IPR001789 | Signal transduction response regulator, receiver domain |
| 3 | 117 | SMART | SM00448 | REC_2 |
| 3 | 117 | InterPro | IPR001789 | Signal transduction response regulator, receiver domain |
| 139 | 204 | ProSiteProfiles | PS50043 | LuxR-type HTH domain profile. |
| 139 | 204 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 136 | 201 | SUPERFAMILY | SSF46894 | C-terminal effector domain of the bipartite response regulators |
| 136 | 201 | InterPro | IPR016032 | Signal transduction response regulator, C-terminal effector |
| 3 | 134 | Gene3D | G3DSA:3.40.50.2300 | - |
| 146 | 199 | CDD | cd06170 | LuxR_C_like |
| 146 | 199 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 137 | 205 | Gene3D | G3DSA:1.10.10.10 | - |
| 137 | 205 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 5 | 120 | CDD | cd17535 | REC_NarL-like |
| 2 | 202 | PANTHER | PTHR45566 | HTH-TYPE TRANSCRIPTIONAL REGULATOR YHJB-RELATED |
| 143 | 200 | SMART | SM00421 | luxrmega5 |
| 143 | 200 | InterPro | IPR000792 | Transcription regulator LuxR, C-terminal |
| 3 | 127 | SUPERFAMILY | SSF52172 | CheY-like |
| 3 | 127 | InterPro | IPR011006 | CheY-like superfamily |
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...
Legend
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Medium
Low
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
PA1397
|
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 | 0.447 |
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.
62 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.
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 |
|---|---|---|---|---|---|---|
| 4QT | Q8DNC2 | 393.8 Da LogP 3.26 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
c1(c(c(c(c(c1Br)OO)Br)OO)Br)N
|
|
| BEF | O34723 | 66.0 Da LogP 0.88 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
[Be-](F)(F)F
|
|
| HL0 | D3W065 | 255.4 Da LogP 2.56 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
|
| HL6 | D3W065 | 199.2 Da LogP 1.00 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)N[C@H]1CCOC1=O
|
|
| HLC | D3W065 | 297.7 Da LogP 1.93 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl
|
|
| HTF | D3W065 | 227.3 Da LogP 1.78 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)N[C@H]1CCOC1=O
|
|
| PE4 | P58663 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
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 |
|---|---|---|---|---|---|---|
| CHEMBL1823953 | D3W065 | 6.42 | 297.7 Da LogP 1.93 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
O=C(CCCOc1ccc(Cl)cc1)NC1CCOC1=O
|
| CHEMBL3740822 | D3W065 | — | 172.2 Da LogP 0.27 TPSA 58.6 | ✓ Ro5 | ✓ Clean |
CCCC(=O)NN1CCOC1=O
|
| CHEMBL3742268 | D3W065 | — | 298.4 Da LogP 2.57 TPSA 75.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CC(=O)NN1CCOC1=O
|
| HL4 | D3W065 | — | 171.2 Da LogP 0.22 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCC(=O)N[C@H]1CCOC1=O
|
| OHN | D3W065 | — | 297.4 Da LogP 2.52 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
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 |
|---|---|---|---|---|---|
| ZINC100648301 | 1.000 | 311.5 Da LogP 4.12 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC103679989 | 1.000 | 269.4 Da LogP 2.95 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC13350890 | 1.000 | 213.3 Da LogP 1.39 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC136677465 | 1.000 | 241.3 Da LogP 2.17 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC136926241 | 1.000 | 297.4 Da LogP 3.73 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC4102234 | 1.000 | 213.3 Da LogP 1.39 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC42764482 | 1.000 | 283.4 Da LogP 3.34 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC42764633 | 1.000 | 255.4 Da LogP 2.56 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC42764884 | 1.000 | 269.4 Da LogP 2.95 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC43617550 | 1.000 | 227.3 Da LogP 1.78 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC5650743 | 1.000 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC62235613 | 1.000 | 227.3 Da LogP 1.78 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC6403917 | 1.000 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC64633540 | 1.000 | 283.4 Da LogP 3.34 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC64857746 | 1.000 | 339.5 Da LogP 4.90 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC64857785 | 1.000 | 297.4 Da LogP 3.73 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC64857786 | 1.000 | 325.5 Da LogP 4.51 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC64857990 | 1.000 | 241.3 Da LogP 2.17 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC64859360 | 1.000 | 311.5 Da LogP 4.12 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC64859363 | 1.000 | 255.4 Da LogP 2.56 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC85891448 | 1.000 | 339.5 Da LogP 4.90 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
|
| ZINC64859423 | 0.872 | 337.5 Da LogP 4.68 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC27647307 | 0.825 | 309.5 Da LogP 3.90 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC135816904 | 0.821 | 269.3 Da LogP 1.74 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O
|
| ZINC137084200 | 0.821 | 353.5 Da LogP 4.08 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O
|
| ZINC137084239 | 0.821 | 353.5 Da LogP 4.08 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC38146039 | 0.821 | 283.4 Da LogP 2.13 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC38146043 | 0.821 | 325.4 Da LogP 3.30 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC42764477 | 0.821 | 269.3 Da LogP 1.74 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC42804658 | 0.821 | 325.4 Da LogP 3.30 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O
|
| ZINC45789166 | 0.821 | 255.3 Da LogP 1.35 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCC(=O)N[C@H]1CCOC1=O
|
| ZINC8436849 | 0.821 | 297.4 Da LogP 2.52 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O
|
| ZINC8436851 | 0.821 | 297.4 Da LogP 2.52 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC57382 | 0.800 | 213.2 Da LogP 0.18 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC6220 | 0.800 | 213.2 Da LogP 0.18 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCC(=O)CC(=O)N[C@@H]1CCOC1=O
|
| ZINC4102231 | 0.795 | 241.3 Da LogP 0.96 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC6397039 | 0.795 | 241.3 Da LogP 0.96 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O
|
| ZINC64859369 | 0.750 | 351.5 Da LogP 3.85 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC83811844 | 0.737 | 229.2 Da LogP 0.06 TPSA 92.7 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC100165428 | 0.711 | 323.4 Da LogP 3.07 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C/CCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC42764670 | 0.711 | 323.4 Da LogP 3.07 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC95704995 | 0.711 | 351.5 Da LogP 3.85 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
| ZINC59124892 | 0.700 | 213.2 Da LogP 0.18 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
O=CCCCCC(=O)N[C@H]1CCOC1=O
|
| ZINC12501520 | 0.688 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC3874716 | 0.688 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 | 0.688 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 | 0.688 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC5178829 | 0.688 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 | 0.688 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5859031 | 0.688 | 294.4 Da LogP 1.13 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCC
|
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.