Overview
Basic information about this protein and its source genome.
- Accession
- PA5241
- Gene
- ppx PA5241
- Status
- annotated
- Amino acids
- 506
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- 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)
12- 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:0004309 Catalysis of the reaction: polyphosphate(n) + H2O = polyphosphate(n-1) + phosphate.
- GO:0008976 Catalysis of the reaction: ATP + phosphate(n) = ADP + phosphate(n+1).
- GO:0071978 Bacterial-type flagellum-dependent cell motility in which the action of numerous flagella results in the smooth movement of a group of cells along a solid surface. Swarming motility is observed in groups of bacteria.
- GO:0071977 Bacterial-type flagellum-dependent cell motility that results in the smooth movement of a cell through a liquid medium.
- GO:0006995 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of deprivation of nitrogen.
- GO:0016036 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of deprivation of phosphate.
- GO:0009247 The chemical reactions and pathways resulting in the formation of glycolipid, a class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide).
- GO:0006798 The chemical reactions and pathways resulting in the breakdown of a polyphosphate, the anion or salt of polyphosphoric acid.
- GO:0009372 The cell-cell signaling process in which single-celled organisms carry out coordinated responses by monitoring their own population density, and often also that of other microbes, by producing small, diffusible, signal molecules, detecting the concentration of these molecules, and triggering a signal transduction pathway when a certain threshold is reached. Quorum sensing can occur amongst microbial communities in the environment or within host organisms.
- GO:0044010 A process in which planktonically growing microorganisms of the same species grow at a liquid-air interface or on a solid substrate under the flow of a liquid and produce extracellular polymers that facilitate matrix formation, resulting in a change in the organisms' growth rate and gene transcription.
- GO:0006793 The chemical reactions and pathways involving the nonmetallic element phosphorus or compounds that contain phosphorus.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 143 | 317 | SUPERFAMILY | SSF53067 | Actin-like ATPase domain |
| 143 | 317 | InterPro | IPR043129 | ATPase, nucleotide binding domain |
| 122 | 301 | FunFam | G3DSA:3.30.420.150:FF:000001 | Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase |
| 6 | 497 | PANTHER | PTHR30005 | EXOPOLYPHOSPHATASE |
| 122 | 301 | Gene3D | G3DSA:3.30.420.150 | Exopolyphosphatase. Domain 2 |
| 17 | 139 | SUPERFAMILY | SSF53067 | Actin-like ATPase domain |
| 17 | 139 | InterPro | IPR043129 | ATPase, nucleotide binding domain |
| 17 | 312 | NCBIfam | TIGR03706 | exopolyphosphatase |
| 17 | 312 | InterPro | IPR022371 | Exopolyphosphatase |
| 6 | 506 | PIRSF | PIRSF001267 | Pyrophosphatase_GppA_Ppx |
| 6 | 506 | InterPro | IPR030673 | Pyrophosphatase, GppA/Ppx-type |
| 316 | 506 | Gene3D | G3DSA:1.10.3210.10 | Hypothetical protein af1432 |
| 18 | 135 | FunFam | G3DSA:3.30.420.40:FF:000023 | Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase |
| 316 | 506 | FunFam | G3DSA:1.10.3210.10:FF:000004 | Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase |
| 37 | 315 | Pfam | PF02541 | Ppx/GppA phosphatase family |
| 37 | 315 | InterPro | IPR003695 | Ppx/GppA phosphatase |
| 18 | 309 | Gene3D | G3DSA:3.30.420.40 | - |
| 319 | 505 | SUPERFAMILY | SSF109604 | HD-domain/PDEase-like |
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
PA5241
|
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 | 0.227 |
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 |
|---|---|---|---|---|---|---|
| G4P | B5ZA44 | 603.2 Da LogP -2.22 TPSA 345.6 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…
|
|
| GNP | B5ZA44 | 522.2 Da LogP -2.76 TPSA 301.9 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…
|
|
| GSP | B5ZA44 | 539.2 Da LogP -2.22 TPSA 282.0 | 3 viol. | ✓ Clean |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…
|
|
| LMR | B5ZA44 | 134.1 Da LogP -1.09 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C([C@@H](C(=O)O)O)C(=O)O
|
|
| MLT | B5ZA44 | 134.1 Da LogP -1.09 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C([C@H](C(=O)O)O)C(=O)O
|
|
| TS6 | B5ZA44 | 114.1 Da LogP 0.01 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
OP(=O)(O)S
|
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 |
|---|---|---|---|---|---|
| ZINC104869865 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O…
|
| ZINC12504289 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC34541308 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC35000839 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC45284491 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC80639694 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC8215481 | 0.836 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(…
|
| ZINC12501413 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC12958448 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC1532555 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC16546189 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC2159505 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3073318 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869963 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)…
|
| ZINC3869965 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O…
|
| ZINC9334496 | 0.770 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[…
|
| ZINC12503703 | 0.738 | 427.2 Da LogP -1.42 TPSA 232.3 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(…
|
| ZINC8215878 | 0.738 | 427.2 Da LogP -1.42 TPSA 232.3 | 2 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O…
|
| ZINC12503440 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)…
|
| ZINC1530370 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](OP(=O)(O)O)[…
|
| ZINC28631009 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)[…
|
| ZINC3872740 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)…
|
| ZINC3872741 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O…
|
| ZINC3872742 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O)…
|
| ZINC3872743 | 0.719 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](OP(=O)(O)O…
|
| ZINC71774763 | 0.671 | 432.3 Da LogP -2.23 TPSA 198.3 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)N3CCOCC3…
|
| 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
|
| ZINC12501360 | 0.657 | 363.2 Da LogP -2.57 TPSA 206.0 | 1 viol. | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2OP…
|
| ZINC4743771 | 0.652 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…
|
| ZINC4743772 | 0.652 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…
|
| ZINC4743774 | 0.652 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc…
|
| ZINC4743775 | 0.652 | 361.3 Da LogP -2.70 TPSA 182.6 | 1 viol. | ✓ Clean |
CS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)n…
|
| ZINC100058967 | 0.632 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@H]3O[C@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC12504287 | 0.632 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…
|
| ZINC12504288 | 0.632 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@H]3O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC31308647 | 0.632 | 443.2 Da LogP -2.45 TPSA 252.6 | 2 viol. | ✓ Clean |
Nc1nc(=O)c2ncn([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(…
|
| ZINC1532637 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c…
|
| ZINC1550030 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c…
|
| ZINC1570863 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(…
|
| ZINC38580950 | 0.629 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…
|
| ZINC3869968 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)…
|
| ZINC4990799 | 0.629 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O…
|
| ZINC4990801 | 0.629 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](…
|
| ZINC4990802 | 0.629 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]…
|
| ZINC5605239 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c…
|
| ZINC6119283 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(…
|
| ZINC6585367 | 0.629 | 283.2 Da LogP -2.69 TPSA 159.5 | ✓ Ro5 | ✓ Clean |
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)…
|
| ZINC97973760 | 0.629 | 282.3 Da LogP -2.72 TPSA 165.3 | ✓ Ro5 | ✓ Clean |
NC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](…
|
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.