Overview
Basic information about this protein and its source genome.
- Accession
- PA4890
- Gene
- PA4890 desT
- Status
- annotated
- Amino acids
- 209
- Structure source
- Experimental + 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.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
6- GO:0032993 A macromolecular complex containing both protein and DNA molecules.
- GO:0001217 A DNA-binding transcription factor activity that represses or decreases the transcription of specific gene sets.
- GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon.
- GO:0045892 Any process that stops, prevents, or reduces the frequency, rate or extent of cellular DNA-templated transcription.
- GO:0045922 Any process that stops, prevents, or reduces the frequency, rate or extent of the chemical reactions and pathways involving fatty acids.
- GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 17 | 62 | Pfam | PF00440 | Bacterial regulatory proteins, tetR family |
| 17 | 62 | InterPro | IPR001647 | DNA-binding HTH domain, TetR-type |
| 3 | 207 | PANTHER | PTHR47752 | HTH-TYPE TRANSCRIPTIONAL REPRESSOR FABR |
| 1 | 53 | Gene3D | G3DSA:1.10.10.60 | - |
| 10 | 71 | ProSiteProfiles | PS50977 | TetR-type HTH domain profile. |
| 10 | 71 | InterPro | IPR001647 | DNA-binding HTH domain, TetR-type |
| 2 | 78 | SUPERFAMILY | SSF46689 | Homeodomain-like |
| 2 | 78 | InterPro | IPR009057 | Homeobox-like domain superfamily |
| 54 | 209 | Gene3D | G3DSA:1.10.357.10 | Tetracycline Repressor, domain 2 |
| 1 | 53 | FunFam | G3DSA:1.10.10.60:FF:000034 | HTH-type transcriptional repressor FabR |
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
3 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
PDB
3LSJ
|
X-ray | 2.30 Å | A,B |
|
Viewing | |
|
PDB
3LSR
|
X-ray | 2.55 Å | A |
|
Loaded | |
|
PDB
3LSP
|
X-ray | 2.66 Å | A |
|
Loaded | |
|
AlphaFold
PA4890
|
AlphaFold | — | — | full sequence | — | Loaded |
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 | 0.924 | ||||||
| 2 | 0.672 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 34.07 | 0.949 | ||||||
| 2 | 2.96 | 0.096 | ||||||
| 3 | 1.24 | 0.012 | ||||||
| 4 | 1.01 | 0.006 |
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 | 0.854 |
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.
| Ligand | Source crystal | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| OLA | 282.5 Da LogP 6.11 TPSA 37.3 | 1 viol. | ✓ Clean |
CCCCCCCC\C=C/CCCCCCCC(=O)O
|
|
| PLM | 256.4 Da LogP 5.55 TPSA 37.3 | 1 viol. | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)O
|
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).
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 |
|---|---|---|---|---|---|
| ZINC1529498 | 1.000 | 200.3 Da LogP 3.99 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)O
|
| ZINC1530417 | 1.000 | 228.4 Da LogP 4.77 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)O
|
| ZINC1628119 | 1.000 | 214.3 Da LogP 4.38 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(=O)O
|
| ZINC64633397 | 1.000 | 226.4 Da LogP 4.55 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCC(=O)O
|
| ZINC1531062 | 0.917 | 226.4 Da LogP 4.55 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCC/C=C/CCCCCCCC(=O)O
|
| ZINC2504617 | 0.917 | 240.4 Da LogP 4.94 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCC/C=C/CCCCCCCCC(=O)O
|
| ZINC32786138 | 0.917 | 226.4 Da LogP 4.55 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCC/C=C/CCCC(=O)O
|
| ZINC4529321 | 0.917 | 226.4 Da LogP 4.55 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCC(=O)O
|
| ZINC5260769 | 0.917 | 240.4 Da LogP 4.94 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCC/C=C\CCCCCCCCC(=O)O
|
| ZINC138457918 | 0.850 | 228.3 Da LogP 3.56 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCCC(=O)O
|
| ZINC138458029 | 0.850 | 228.3 Da LogP 3.56 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCC(=O)O
|
| ZINC144395054 | 0.850 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCCCC(=O)O
|
| ZINC14619628 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCCCCCC(=O)O
|
| ZINC196749828 | 0.850 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCC(=O)O
|
| ZINC2113934076 | 0.850 | 256.4 Da LogP 4.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCCCC(=O)O
|
| ZINC2113934082 | 0.850 | 256.4 Da LogP 4.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCCCCC(=O)O
|
| ZINC2113934083 | 0.850 | 256.4 Da LogP 4.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CCCCC(=O)O
|
| ZINC2243670 | 0.850 | 228.3 Da LogP 3.56 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCCC(=O)O
|
| ZINC2569203 | 0.850 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCCC(=O)O
|
| ZINC4798470 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCCCCC(=O)O
|
| ZINC5973005 | 0.850 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCCCCC(=O)O
|
| ZINC71418182 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC(=O)CCCCC(=O)O
|
| ZINC79244776 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCCCCCC(=O)O
|
| ZINC86037082 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC(=O)CCCCCC(=O)O
|
| ZINC86037089 | 0.850 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CCCCCCC(=O)O
|
| ZINC86039283 | 0.850 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CCCCC(=O)O
|
| ZINC3160730 | 0.810 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCCC(=O)O
|
| ZINC4582907 | 0.810 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCCC(=O)O
|
| ZINC4727003 | 0.810 | 312.4 Da LogP 4.69 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)CCC(=O)CCCCCCCC(=O)O
|
| ZINC86037074 | 0.810 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)CCCC(=O)O
|
| ZINC2378801 | 0.800 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)CCCCC(=O)O
|
| ZINC31439572 | 0.778 | 224.3 Da LogP 4.32 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C/C=C\CCCC(=O)O
|
| ZINC2113934081 | 0.762 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCCCCCCC(=O)O
|
| ZINC2243668 | 0.762 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCCC(=O)O
|
| ZINC2378799 | 0.762 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCC(=O)O
|
| ZINC33820423 | 0.762 | 242.4 Da LogP 3.95 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)CCCCCCCCC(=O)O
|
| ZINC198743420 | 0.750 | 228.3 Da LogP 2.83 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=C(O)CCC/C=C\CCCCCC(=O)O
|
| ZINC2387442 | 0.739 | 246.4 Da LogP 4.34 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCSCCCCC(=O)O
|
| ZINC31778284 | 0.739 | 310.4 Da LogP 4.47 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)/C=C\C(=O)CCCCCCCC(=O)O
|
| ZINC5540108 | 0.739 | 310.4 Da LogP 4.47 TPSA 71.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)/C=C/C(=O)CCCCCCCC(=O)O
|
| ZINC59545317 | 0.727 | 200.3 Da LogP 2.78 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)CCC(=O)O
|
| ZINC59545320 | 0.727 | 270.4 Da LogP 4.73 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC(=O)CCC(=O)O
|
| ZINC59545336 | 0.727 | 214.3 Da LogP 3.17 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC(=O)CCC(=O)O
|
| ZINC33954988 | 0.719 | 296.5 Da LogP 4.86 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C[C@H](O)/C=C/CCCCCCC(=O)O
|
| ZINC33954989 | 0.719 | 296.5 Da LogP 4.86 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C\C[C@@H](O)/C=C/CCCCCCC(=O)O
|
| ZINC33820298 | 0.714 | 250.4 Da LogP 4.88 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/C/C=C/CCC(=O)O
|
| ZINC117423077 | 0.708 | 230.3 Da LogP 3.35 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCC[C@@H](O)CCCCC(=O)O
|
| ZINC33820346 | 0.708 | 316.5 Da LogP 4.27 TPSA 77.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@H](O)[C@@H](O)CCCCCCCCCCC(=O)O
|
| ZINC59200976 | 0.708 | 272.4 Da LogP 4.52 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[C@@H](O)CCCCCC(=O)O
|
| ZINC85858219 | 0.708 | 272.4 Da LogP 4.52 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@H](O)CCCCC(=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.