Overview
Basic information about this protein and its source genome.
- Accession
- PA3455
- Gene
- PA3455
- Status
- annotated
- Amino acids
- 496
- 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.
Enzyme Commission (EC)
1Gene Ontology (GO)
4- GO:0042802 Binding to an identical protein or proteins.
- GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
- GO:0043751 Catalysis of the reaction: (polyphosphate)n + AMP = (polyphosphate)n-1 + ADP.
- GO:0006797 The chemical reactions and pathways involving a polyphosphate, the anion or salt of polyphosphoric acid.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 302 | 489 | SUPERFAMILY | SSF52540 | P-loop containing nucleoside triphosphate hydrolases |
| 302 | 489 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 11 | 234 | Pfam | PF03976 | Polyphosphate kinase 2 (PPK2) |
| 11 | 234 | InterPro | IPR022488 | Polyphosphate kinase-2-related |
| 269 | 495 | Pfam | PF03976 | Polyphosphate kinase 2 (PPK2) |
| 269 | 495 | InterPro | IPR022488 | Polyphosphate kinase-2-related |
| 271 | 291 | Coils | Coil | Coil |
| 238 | 495 | Gene3D | G3DSA:3.40.50.300 | - |
| 238 | 495 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 1 | 237 | Gene3D | G3DSA:3.40.50.300 | - |
| 1 | 237 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
| 254 | 494 | PANTHER | PTHR34383 | POLYPHOSPHATE:AMP PHOSPHOTRANSFERASE-RELATED |
| 2 | 491 | NCBIfam | TIGR03708 | polyphosphate:AMP phosphotransferase |
| 2 | 491 | InterPro | IPR022489 | Polyphosphate:AMP phosphotransferase |
| 41 | 216 | SUPERFAMILY | SSF52540 | P-loop containing nucleoside triphosphate hydrolases |
| 41 | 216 | InterPro | IPR027417 | P-loop containing nucleoside triphosphate hydrolase |
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
1 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
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 |
|---|---|---|---|---|---|---|---|
| 3 | 0.526 | ||||||
| 2 | 0.423 |
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 | 18.27 | 0.819 | ||||||
| 2 | 7.28 | 0.38 | ||||||
| 3 | 5.03 | 0.229 | ||||||
| 4 | 4.11 | 0.166 | ||||||
| 5 | 2.76 | 0.084 |
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 |
|---|---|---|---|---|---|---|---|
| 5 | 0.395 | ||||||
| 12 | 0.334 |
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 |
|---|---|---|---|---|---|
| MLI | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| 6YW | Q5NEQ5 | 497.9 Da LogP -0.34 TPSA 310.4 | 2 viol. | ✓ Clean |
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP…
|
|
| 6YX | Q5NEQ5 | 1937.5 Da LogP 1.76 TPSA 1148.0 | 3 viol. | ✓ Clean |
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP…
|
|
| 6YY | Q5NEQ5 | 897.8 Da LogP 0.24 TPSA 543.1 | 3 viol. | ✓ Clean |
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP…
|
|
| DPO | M9XB82 | 173.9 Da LogP -3.34 TPSA 135.6 | ✓ Ro5 | ✓ Clean |
[O-]P(=O)([O-])OP(=O)([O-])[O-]
|
|
| FLC | A1R8G0 | 189.1 Da LogP -5.25 TPSA 140.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
|
|
| MLT | Q92SA6 | 134.1 Da LogP -1.09 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C([C@H](C(=O)O)O)C(=O)O
|
|
| PPV | M9XB82 | 178.0 Da LogP -0.81 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
OP(=O)(O)OP(=O)(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).
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 |
|---|---|---|---|---|---|
| ZINC6827739 | 0.692 | 258.0 Da LogP -0.69 TPSA 170.8 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)OP(=O)(O)OP(=O)(O)O
|
| ZINC71773889 | 0.667 | 206.1 Da LogP -1.77 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(C[C@H](O)C(=O)O)C[C@H](O)C(=O)O
|
| ZINC71773890 | 0.667 | 206.1 Da LogP -1.77 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(C[C@H](O)C(=O)O)C[C@@H](O)C(=O)O
|
| ZINC71773891 | 0.667 | 206.1 Da LogP -1.77 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(C[C@@H](O)C(=O)O)C[C@@H](O)C(=O)O
|
| ZINC1577651 | 0.526 | 234.2 Da LogP -0.66 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)C[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O
|
| ZINC1577652 | 0.526 | 234.2 Da LogP -0.66 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)C[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O
|
| ZINC1577653 | 0.526 | 234.2 Da LogP -0.66 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)C[C@H](C(=O)O)[C@H](CC(=O)O)C(=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.