Overview
Basic information about this protein and its source genome.
- Accession
- PA0095
- Gene
- vgrG1b PA0095
- Status
- annotated
- Amino acids
- 741
- 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.
Gene Ontology (GO)
3- GO:0005576 The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.
- GO:0033104 A complex of proteins that permits the transfer of proteins into the extracellular milieu or directly into host cells via the type VI secretion system. Proteins secreted by this complex do not require an N-terminal signal sequence.
- GO:0033103 The process in which proteins are transferred into the extracellular milieu or directly into host cells by the type VI secretion system. Proteins secreted by this system do not require an N-terminal signal sequence.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 22 | 506 | NCBIfam | TIGR01646 | type VI secretion system tip protein VgrG |
| 22 | 506 | InterPro | IPR006533 | Type VI secretion system, RhsGE-associated Vgr protein |
| 626 | 669 | MobiDBLite | mobidb-lite | consensus disorder prediction |
| 224 | 286 | Gene3D | G3DSA:4.10.220.110 | - |
| 355 | 457 | FunFam | G3DSA:2.40.50.230:FF:000001 | Type VI secretion protein VgrG |
| 224 | 286 | FunFam | G3DSA:4.10.220.110:FF:000001 | VgrG1 |
| 11 | 524 | NCBIfam | TIGR03361 | type VI secretion system tip protein TssI/VgrG N-terminal domain |
| 11 | 524 | InterPro | IPR017847 | Type VI secretion system, RhsGE-associated Vgr family subset |
| 29 | 329 | Pfam | PF05954 | Phage tail baseplate hub (GPD) |
| 442 | 608 | SUPERFAMILY | SSF69349 | Phage fibre proteins |
| 355 | 457 | Gene3D | G3DSA:2.40.50.230 | - |
| 355 | 457 | InterPro | IPR037026 | Vgr protein, OB-fold domain superfamily |
| 15 | 662 | PANTHER | PTHR32305 | - |
| 98 | 189 | FunFam | G3DSA:3.55.50.10:FF:000001 | Actin cross-linking toxin VgrG1 |
| 580 | 723 | SUPERFAMILY | SSF69349 | Phage fibre proteins |
| 15 | 333 | Gene3D | G3DSA:2.30.110.50 | - |
| 365 | 452 | SUPERFAMILY | SSF69255 | gp5 N-terminal domain-like |
| 386 | 453 | Pfam | PF04717 | Type VI secretion system/phage-baseplate injector OB domain |
| 386 | 453 | InterPro | IPR006531 | Gp5/Type VI secretion system Vgr protein, OB-fold domain |
| 11 | 184 | SUPERFAMILY | SSF69279 | Phage tail proteins |
| 98 | 189 | Gene3D | G3DSA:3.55.50.10 | - |
| 529 | 552 | Pfam | PF06715 | Gp5 C-terminal repeat (3 copies) |
| 529 | 552 | InterPro | IPR010609 | Gp5, C-terminal |
| 633 | 656 | Pfam | PF06715 | Gp5 C-terminal repeat (3 copies) |
| 633 | 656 | InterPro | IPR010609 | Gp5, C-terminal |
| 189 | 363 | SUPERFAMILY | SSF69279 | Phage tail proteins |
| 626 | 674 | MobiDBLite | mobidb-lite | consensus disorder prediction |
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
PA0095
|
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 | 0.448 | ||||||
| 5 | 0.414 | ||||||
| 2 | 0.332 |
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 |
|---|---|---|---|---|---|---|
| TAM | Q9I741 | 163.2 Da LogP -1.17 TPSA 86.7 | ✓ Ro5 | ✓ Clean |
C(CO)C(CCO)(CCO)N
|
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 |
|---|---|---|---|---|---|
| ZINC2575038 | 0.625 | 205.3 Da LogP 0.00 TPSA 86.7 | ✓ Ro5 | ✓ Clean |
NC(CCCO)(CCCO)CCCO
|
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.