Overview
Basic information about this protein and its source genome.
- Accession
- PA1830
- Gene
- PA1830
- Status
- annotated
- Amino acids
- 104
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 32.099
- Human E-value
- 6.24e-07
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- 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.
Gene Ontology (GO)
1- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 103 | FunFam | G3DSA:3.30.1050.10:FF:000007 | SCP-2 family sterol carrier protein |
| 2 | 102 | SUPERFAMILY | SSF55718 | SCP-like |
| 2 | 102 | InterPro | IPR036527 | SCP2 sterol-binding domain superfamily |
| 1 | 103 | Gene3D | G3DSA:3.30.1050.10 | - |
| 1 | 103 | InterPro | IPR036527 | SCP2 sterol-binding domain superfamily |
| 9 | 103 | PANTHER | PTHR10094 | STEROL CARRIER PROTEIN 2 SCP-2 FAMILY PROTEIN |
| 9 | 103 | InterPro | IPR039543 | Lipid-binding protein POX18/UbiT/NSL-TP1 |
| 15 | 102 | Pfam | PF02036 | SCP-2 sterol transfer family |
| 15 | 102 | InterPro | IPR003033 | SCP2 sterol-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
PA1830
|
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 | 0.928 | ||||||
| 2 | 0.902 |
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 |
|---|---|---|---|---|---|---|
| OXN | P51659 | 646.9 Da LogP 3.92 TPSA 112.5 | 2 viol. | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCC…
|
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 |
|---|---|---|---|---|---|
| ZINC2030966 | 1.000 | 294.4 Da LogP 3.79 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1
|
| ZINC1532311 | 0.818 | 250.4 Da LogP 3.77 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
|
| ZINC35650209 | 0.722 | 278.4 Da LogP 4.55 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCCCO)cc1
|
| ZINC1592053 | 0.692 | 321.5 Da LogP 4.36 TPSA 21.7 | ✓ Ro5 | ✓ Clean |
CN(C)CCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC167273021 | 0.675 | 308.4 Da LogP 3.88 TPSA 55.8 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOCC(=O)O)cc1
|
| ZINC4353076 | 0.651 | 352.5 Da LogP 4.42 TPSA 68.3 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOCCSC(=N)N)cc1
|
| ZINC226069334 | 0.628 | 366.6 Da LogP 3.86 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)C[N+](C)(C)…
|
| ZINC226069348 | 0.628 | 366.6 Da LogP 3.86 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)C[N+](C)(C)C…
|
| ZINC3844447 | 0.625 | 286.3 Da LogP 0.46 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOc1ccc(OCCOCCO)cc1
|
| ZINC1688152 | 0.609 | 380.5 Da LogP 3.96 TPSA 55.8 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)CC(=O)O)c…
|
| ZINC90741418 | 0.606 | 242.3 Da LogP 0.45 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOc1ccc(OCCO)cc1
|
| ZINC1600251 | 0.595 | 208.3 Da LogP 2.75 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CCC(C)(C)c1ccc(OCCO)cc1
|
| ZINC32011214 | 0.587 | 363.5 Da LogP 4.13 TPSA 30.9 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOCCN2CCOCC2)cc1
|
| ZINC226069639 | 0.574 | 365.6 Da LogP 4.15 TPSA 50.7 | ✓ Ro5 | ✓ Clean |
CC(C)NC[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC226069650 | 0.574 | 365.6 Da LogP 4.15 TPSA 50.7 | ✓ Ro5 | ✓ Clean |
CC(C)NC[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC16889914 | 0.558 | 308.5 Da LogP 4.41 TPSA 59.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCSC(=N)N)cc1
|
| ZINC140309458 | 0.556 | 438.5 Da LogP 3.15 TPSA 88.4 | ✓ Ro5 | ✓ Clean |
CC(c1ccc(OCCO)cc1)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
|
| ZINC1690586 | 0.556 | 316.4 Da LogP 2.75 TPSA 58.9 | ✓ Ro5 | ✓ Clean |
CC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
|
| ZINC64844 | 0.550 | 264.4 Da LogP 3.86 TPSA 46.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)O)cc1
|
| ZINC43214995 | 0.543 | 308.5 Da LogP 4.18 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CC[C@@](C)(CCC(C)C)c1ccc(OCCOCCO)cc1
|
| ZINC43214996 | 0.543 | 308.5 Da LogP 4.18 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CC[C@](C)(CCC(C)C)c1ccc(OCCOCCO)cc1
|
| ZINC4775495 | 0.538 | 246.4 Da LogP 4.97 TPSA 9.2 | ✓ Ro5 | ✓ Clean |
C=CCOc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC226069738 | 0.529 | 406.6 Da LogP 3.40 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
CN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc…
|
| ZINC226069750 | 0.529 | 406.6 Da LogP 3.40 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
CN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2…
|
| ZINC226069903 | 0.529 | 420.6 Da LogP 3.79 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
CCN1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)c…
|
| ZINC226069914 | 0.529 | 420.6 Da LogP 3.79 TPSA 45.2 | ✓ Ro5 | ✓ Clean |
CCN1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc…
|
| ZINC1693494 | 0.528 | 220.4 Da LogP 4.41 TPSA 9.2 | ✓ Ro5 | ✓ Clean |
COc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC2029508 | 0.528 | 226.3 Da LogP 1.09 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOc1ccccc1
|
| ZINC1698725 | 0.526 | 314.4 Da LogP 4.46 TPSA 27.7 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1ccc(OCCOCCOc2ccccc2)cc1
|
| ZINC2984023 | 0.526 | 344.5 Da LogP 4.47 TPSA 36.9 | ✓ Ro5 | ✓ Clean |
COc1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2)cc1
|
| ZINC226070009 | 0.519 | 393.6 Da LogP 3.49 TPSA 51.2 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@@H](O)CN2CCOCC2)c…
|
| ZINC226070018 | 0.519 | 393.6 Da LogP 3.49 TPSA 51.2 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OCCOC[C@H](O)CN2CCOCC2)cc1
|
| ZINC216468039 | 0.513 | 250.3 Da LogP 1.07 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
C#Cc1ccc(OCCOCCOCCO)cc1
|
| ZINC17112794 | 0.512 | 322.5 Da LogP 3.85 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N+](C)(C)C)c…
|
| ZINC17112796 | 0.512 | 322.5 Da LogP 3.85 TPSA 29.5 | ✓ Ro5 | ✓ Clean |
CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N+](C)(C)C)cc1
|
| ZINC226069954 | 0.509 | 405.6 Da LogP 4.89 TPSA 41.9 | ✓ Ro5 | ✓ Clean |
CC1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc…
|
| ZINC226069964 | 0.509 | 405.6 Da LogP 4.89 TPSA 41.9 | ✓ Ro5 | ✓ Clean |
CC1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2…
|
| ZINC1848581 | 0.500 | 248.4 Da LogP 4.33 TPSA 26.3 | ✓ Ro5 | ✓ Clean |
CC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC20131185 | 0.500 | 292.4 Da LogP 4.34 TPSA 35.5 | ✓ Ro5 | ✓ Clean |
CCOC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1
|
| ZINC221369983 | 0.500 | 297.4 Da LogP 2.42 TPSA 77.0 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OC(=O)Nc1ccc(OCCOCCO)cc1
|
| ZINC45929179 | 0.500 | 289.4 Da LogP 0.84 TPSA 84.9 | ✓ Ro5 | ✓ Clean |
CCS(=O)(=O)Nc1ccc(OCCOCCO)cc1
|
| ZINC72311148 | 0.500 | 254.3 Da LogP 2.25 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OCCOc1ccc(OCCO)cc1
|
| ZINC97082655 | 0.500 | 224.3 Da LogP 2.33 TPSA 38.7 | ✓ Ro5 | ✓ Clean |
CCOCCOc1ccc(C(C)(C)O)cc1
|
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.