Protein profile
PA1691
translocation protein in type III secretion
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA1691
- Gene
- PA1691 pscT
- Status
- annotated
- Amino acids
- 262
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- Localization
- CytoplasmicMembrane
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)
3- 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:0006605 The process of targeting specific proteins to particular regions of the cell, typically membrane-bounded subcellular organelles. Usually requires an organelle specific protein sequence motif.
- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 212 | 236 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 4 | 256 | NCBIfam | TIGR01401 | type III secretion system export apparatus subunit SctT |
| 4 | 256 | InterPro | IPR006304 | Type III secretion protein SpaR/YscT |
| 11 | 243 | Pfam | PF01311 | Bacterial export proteins, family 1 |
| 11 | 243 | InterPro | IPR002010 | Type III secretion system inner membrane R protein |
| 72 | 77 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 2 | 259 | PANTHER | PTHR30065 | FLAGELLAR BIOSYNTHETIC PROTEIN FLIR |
| 2 | 259 | InterPro | IPR002010 | Type III secretion system inner membrane R protein |
| 32 | 50 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 102 | 124 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 51 | 71 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 153 | 174 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 175 | 179 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 9 | 31 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 1 | 8 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 180 | 205 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 183 | 205 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 215 | 237 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 78 | 101 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 206 | 211 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 128 | 150 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 51 | 73 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 181 | 203 | PRINTS | PR00953 | Type III secretion system inner membrane R protein family signature |
| 181 | 203 | InterPro | IPR002010 | Type III secretion system inner membrane R protein |
| 203 | 222 | PRINTS | PR00953 | Type III secretion system inner membrane R protein family signature |
| 203 | 222 | InterPro | IPR002010 | Type III secretion system inner membrane R protein |
| 79 | 98 | PRINTS | PR00953 | Type III secretion system inner membrane R protein family signature |
| 79 | 98 | InterPro | IPR002010 | Type III secretion system inner membrane R protein |
| 19 | 40 | PRINTS | PR00953 | Type III secretion system inner membrane R protein family signature |
| 19 | 40 | InterPro | IPR002010 | Type III secretion system inner membrane R protein |
| 125 | 146 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 237 | 262 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 78 | 100 | TMHMM | TMhelix | Region of a membrane-bound protein predicted to be embedded in the membrane. |
| 147 | 152 | Phobius | CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm. |
| 9 | 31 | Phobius | TRANSMEMBRANE | Region of a membrane-bound protein predicted to be embedded in the membrane. |
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
PA1691
|
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 |
|---|---|---|---|---|---|---|---|
| 4 | 0.937 | ||||||
| 1 | 0.81 | ||||||
| 2 | 0.214 |
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.
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 |
|---|---|---|---|---|---|
| ZINC1849937 | 1.000 | 201.4 Da LogP 3.70 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2008702 | 1.000 | 243.4 Da LogP 4.87 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2039372 | 1.000 | 229.4 Da LogP 4.48 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC2516963 | 1.000 | 215.4 Da LogP 4.09 TPSA 23.1 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[N+](C)(C)[O-]
|
| ZINC36178999 | 1.000 | 424.5 Da LogP 4.27 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCCCC
|
| ZINC36179002 | 1.000 | 424.5 Da LogP 4.27 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
|
| ZINC5820131 | 0.971 | 368.4 Da LogP 2.71 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCC
|
| ZINC5820134 | 0.971 | 368.4 Da LogP 2.71 TPSA 119.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC
|
| ZINC4521879 | 0.743 | 386.5 Da LogP 4.73 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
|
| ZINC102190506 | 0.727 | 467.5 Da LogP 4.25 TPSA 134.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CC…
|
| ZINC102190512 | 0.727 | 467.5 Da LogP 4.25 TPSA 134.4 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)C…
|
| ZINC102191119 | 0.711 | 498.6 Da LogP 3.65 TPSA 148.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO…
|
| ZINC58649551 | 0.711 | 498.6 Da LogP 3.65 TPSA 148.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](O)CO)…
|
| ZINC27416437 | 0.705 | 411.4 Da LogP 2.69 TPSA 134.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCC
|
| ZINC33902364 | 0.705 | 411.4 Da LogP 2.69 TPSA 134.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCC…
|
| ZINC137999083 | 0.700 | 424.5 Da LogP 4.87 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O
|
| ZINC42851452 | 0.700 | 424.5 Da LogP 4.87 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC62624856 | 0.700 | 382.4 Da LogP 3.70 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O
|
| ZINC62624861 | 0.700 | 382.4 Da LogP 3.70 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC8218993 | 0.700 | 410.5 Da LogP 4.48 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COP(=O)(O)O
|
| ZINC8219000 | 0.700 | 410.5 Da LogP 4.48 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC13543394 | 0.689 | 455.4 Da LogP 2.15 TPSA 171.7 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)…
|
| ZINC13544781 | 0.681 | 482.6 Da LogP 4.22 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C…
|
| ZINC13544783 | 0.681 | 482.6 Da LogP 4.22 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)…
|
| ZINC13552119 | 0.675 | 270.2 Da LogP 0.58 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC36079847 | 0.667 | 344.5 Da LogP 4.15 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC
|
| ZINC4521911 | 0.667 | 344.4 Da LogP 3.56 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC
|
| ZINC8214428 | 0.667 | 344.5 Da LogP 4.15 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
|
| ZINC13543439 | 0.660 | 454.5 Da LogP 3.44 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)…
|
| ZINC13543441 | 0.660 | 454.5 Da LogP 3.44 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O…
|
| ZINC103659671 | 0.641 | 358.5 Da LogP 3.95 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OC(COC(C)=O)COC(C)=O
|
| ZINC5820130 | 0.641 | 288.4 Da LogP 2.59 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC
|
| ZINC5820133 | 0.641 | 288.4 Da LogP 2.59 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC
|
| ZINC27646150 | 0.625 | 274.4 Da LogP 2.20 TPSA 72.8 | ✓ Ro5 | ✓ Clean |
CCCCCC(=O)OC[C@H](CO)OC(=O)CCCC
|
| ZINC85480136 | 0.610 | 358.5 Da LogP 3.95 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OC[C@@H](COC(C)=O)OC(C)=O
|
| ZINC85480138 | 0.610 | 358.5 Da LogP 3.95 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)OC[C@H](COC(C)=O)OC(C)=O
|
| ZINC85480140 | 0.610 | 386.5 Da LogP 4.73 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@@H](COC(C)=O)OC(C)=O
|
| ZINC85480143 | 0.610 | 386.5 Da LogP 4.73 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC(=O)OC[C@H](COC(C)=O)OC(C)=O
|
| ZINC144389541 | 0.609 | 422.5 Da LogP 4.65 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCCC/C=C\CCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
|
| ZINC33822387 | 0.604 | 426.5 Da LogP 2.66 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O…
|
| ZINC33822389 | 0.604 | 426.5 Da LogP 2.66 TPSA 108.4 | ✓ Ro5 | ✓ Clean |
CCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)…
|
| ZINC1673414 | 0.600 | 228.4 Da LogP 4.61 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)C
|
| ZINC1700269 | 0.600 | 200.4 Da LogP 3.83 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)C
|
| ZINC13507461 | 0.571 | 434.5 Da LogP 4.81 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](O)COP(=O)(…
|
| ZINC5510441 | 0.571 | 434.5 Da LogP 4.81 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)COP(=O)(O…
|
| ZINC3860906 | 0.568 | 302.4 Da LogP 2.38 TPSA 78.9 | ✓ Ro5 | ✓ Clean |
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
|
| ZINC1608739 | 0.564 | 228.4 Da LogP 4.33 TPSA 26.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCC(=O)OCC(CC)CC
|
| ZINC100991279 | 0.548 | 314.5 Da LogP 4.38 TPSA 52.2 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC(=O)NCCCC[N+](C)(C)[O-]
|
| ZINC1670600 | 0.545 | 201.4 Da LogP 3.08 TPSA 26.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[N+](C)(C)N
|
| ZINC59314569 | 0.545 | 229.4 Da LogP 3.86 TPSA 26.0 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[N+](C)(C)N
|
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.