Overview
Basic information about this protein and its source genome.
- Accession
- PA4069
- Gene
- PA4069
- Status
- annotated
- Amino acids
- 294
- 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.
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:0008831 Catalysis of the reaction: dTDP-6-deoxy-L-mannose + NADP+ = dTDP-4-dehydro-6-deoxy-L-mannose + H+ + NADPH.
- GO:0019305 The chemical reactions and pathways resulting in the formation of dTDP-rhamnose, a substance composed of rhamnose in glycosidic linkage with deoxyribosylthymine diphosphate.
- GO:0009243 The chemical reactions and pathways resulting in the formation of the O side chain of a lipopolysaccharide, which determines the antigenic specificity of the organism. It is made up of about 50 repeating units of a branched tetrasaccharide.
- GO:0000271 The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 160 | 283 | Gene3D | G3DSA:3.90.25.10 | - |
| 3 | 291 | SUPERFAMILY | SSF51735 | NAD(P)-binding Rossmann-fold domains |
| 3 | 291 | InterPro | IPR036291 | NAD(P)-binding domain superfamily |
| 5 | 10 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 3 | 289 | PANTHER | PTHR10491 | DTDP-4-DEHYDRORHAMNOSE REDUCTASE |
| 3 | 289 | InterPro | IPR005913 | dTDP-4-dehydrorhamnose reductase family |
| 1 | 4 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 16 | 294 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 6 | 277 | Gene3D | G3DSA:3.40.50.720 | - |
| 11 | 15 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 15 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 3 | 291 | Pfam | PF04321 | RmlD substrate binding domain |
| 3 | 291 | InterPro | IPR029903 | RmlD-like substrate binding domain |
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
PA4069
|
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 | 0.832 | ||||||
| 2 | 0.204 |
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 |
|---|---|---|---|---|---|---|
| TRH | P26392 | 548.3 Da LogP -2.43 TPSA 256.5 | 3 viol. | ✓ Clean |
C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)…
|
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 |
|---|---|---|---|---|---|---|
| CHEMBL375328 | P9WH09 | 6.05 | 320.3 Da LogP 3.68 TPSA 90.9 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3)c-2cc1O
|
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 |
|---|---|---|---|---|---|
| ZINC3860685 | 1.000 | 320.3 Da LogP 3.68 TPSA 90.9 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3)c-2cc1O
|
| ZINC100037549 | 0.775 | 336.3 Da LogP 3.39 TPSA 111.1 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3O)c-2cc1O
|
| ZINC13507072 | 0.742 | 482.2 Da LogP -1.16 TPSA 244.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)O[P@…
|
| ZINC33979251 | 0.742 | 482.2 Da LogP -1.16 TPSA 244.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC12503053 | 0.738 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC33979243 | 0.738 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC33979244 | 0.738 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)…
|
| ZINC33979245 | 0.738 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=…
|
| ZINC33979246 | 0.738 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8215882 | 0.738 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC4881528 | 0.733 | 321.3 Da LogP 3.08 TPSA 103.8 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3cccnc3)c-2cc1O
|
| ZINC4822213 | 0.711 | 363.4 Da LogP 3.75 TPSA 94.1 | ✓ Ro5 | Alert |
CN(C)c1ccc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)…
|
| ZINC32669136 | 0.689 | 415.2 Da LogP 4.15 TPSA 111.1 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc(O)c(Br)c3)c-2cc1O
|
| ZINC13523519 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(…
|
| ZINC1532628 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=…
|
| ZINC1678872 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC2047010 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC3870253 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC3870254 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)…
|
| ZINC6523446 | 0.672 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=…
|
| ZINC4894119 | 0.667 | 364.4 Da LogP 4.08 TPSA 100.1 | ✓ Ro5 | Alert |
CCOc1ccc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc1
|
| ZINC17107637 | 0.651 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(N)(N)=O)O2)c(…
|
| ZINC17107641 | 0.651 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(N)(N)=O)O2)c(=…
|
| ZINC5493427 | 0.651 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(N)(N)=O)O2)c(=O…
|
| ZINC5493430 | 0.651 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(N)(N)=O)O2)c(=…
|
| ZINC3871176 | 0.650 | 254.2 Da LogP 2.87 TPSA 70.7 | ✓ Ro5 | Alert |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)cc12
|
| ZINC4016936 | 0.646 | 365.3 Da LogP 3.59 TPSA 134.0 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3[N+](=O)[O-])c…
|
| ZINC1775963629 | 0.638 | 337.3 Da LogP 2.78 TPSA 124.0 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3cccnc3O)c-2cc1O
|
| ZINC111459735 | 0.632 | 481.2 Da LogP -1.20 TPSA 249.9 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](N)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC138164075 | 0.632 | 498.2 Da LogP 0.21 TPSA 227.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC4902078 | 0.620 | 364.4 Da LogP 4.00 TPSA 100.1 | ✓ Ro5 | Alert |
COc1ccc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc1C
|
| ZINC142512519 | 0.618 | 498.2 Da LogP 0.21 TPSA 227.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC1775963714 | 0.612 | 355.7 Da LogP 3.73 TPSA 103.8 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3cccnc3Cl)c-2cc1O
|
| ZINC113218151 | 0.603 | 486.1 Da LogP -1.33 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)…
|
| ZINC80168152 | 0.603 | 486.1 Da LogP -1.33 TPSA 244.1 | 2 viol. | ✓ Clean |
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O…
|
| ZINC13520531 | 0.603 | 443.3 Da LogP 0.60 TPSA 183.2 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)Oc3ccc…
|
| ZINC4015433 | 0.595 | 258.2 Da LogP 2.32 TPSA 90.9 | ✓ Ro5 | Alert |
Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12
|
| ZINC59206718 | 0.594 | 498.2 Da LogP -1.98 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O…
|
| ZINC4905140 | 0.592 | 355.3 Da LogP 3.18 TPSA 147.2 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc([N+](=O)[O-])o3)…
|
| ZINC13519607 | 0.588 | 498.2 Da LogP -2.19 TPSA 264.4 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP…
|
| ZINC31298140 | 0.588 | 498.2 Da LogP -2.19 TPSA 264.4 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…
|
| ZINC81168754 | 0.588 | 498.2 Da LogP -2.19 TPSA 264.4 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…
|
| ZINC81168756 | 0.588 | 498.2 Da LogP -2.19 TPSA 264.4 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)…
|
| ZINC138954515 | 0.586 | 496.2 Da LogP -1.66 TPSA 261.2 | 2 viol. | ✓ Clean |
O=Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P…
|
| ZINC4894312 | 0.583 | 410.4 Da LogP 3.71 TPSA 118.6 | ✓ Ro5 | Alert |
COc1cc(OC)c(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23…
|
| ZINC11422512 | 0.582 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)…
|
| ZINC13518650 | 0.582 | 418.2 Da LogP -2.31 TPSA 217.8 | 1 viol. | ✓ Clean |
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C…
|
| ZINC35349219 | 0.580 | 381.3 Da LogP 3.30 TPSA 154.3 | ✓ Ro5 | Alert |
O=c1cc2oc3cc(O)c(O)cc3c(-c3cc([N+](=O)[O-])ccc3…
|
| ZINC16247056 | 0.577 | 492.2 Da LogP 4.00 TPSA 120.4 | ✓ Ro5 | Alert |
COc1cc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc(I…
|
| ZINC4893723 | 0.577 | 414.8 Da LogP 4.35 TPSA 109.4 | ✓ Ro5 | Alert |
COc1cc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc(C…
|
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.