Overview
Basic information about this protein and its source genome.
- Accession
- PA1150
- Gene
- PA1150 pys2
- Status
- annotated
- Amino acids
- 689
- 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
- Extracellular
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)
8- GO:0004519 Catalysis of the cleavage of ester linkages within nucleic acids by creating internal breaks.
- GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
- GO:0046872 Binding to a metal ion.
- GO:0005102 Binding to one or more specific sites on a receptor molecule, a macromolecule that undergoes combination with a hormone, neurotransmitter, drug or intracellular messenger to initiate a change in cell function.
- GO:0019835 The rupture of cell membranes and the loss of cytoplasm.
- GO:0042742 Reactions triggered in response to the presence of a bacterium that act to protect the cell or organism.
- GO:0031640 Any process in an organism that results in the killing of cells of another organism, including in some cases the death of the other organism. Killing here refers to the induction of death in one cell by another cell, not cell-autonomous death due to internal or other environmental conditions.
- GO:0009617 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus from a bacterium.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 648 | 685 | CDD | cd00085 | HNHc |
| 648 | 685 | InterPro | IPR003615 | HNH nuclease |
| 415 | 554 | Pfam | PF06958 | S-type Pyocin |
| 415 | 554 | InterPro | IPR016128 | Pyosin/cloacin translocation domain |
| 555 | 685 | SUPERFAMILY | SSF54060 | His-Me finger endonucleases |
| 555 | 685 | InterPro | IPR044925 | His-Me finger superfamily |
| 627 | 682 | SMART | SM00507 | HNH_5 |
| 627 | 682 | InterPro | IPR003615 | HNH nuclease |
| 283 | 303 | Coils | Coil | Coil |
| 584 | 605 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 584 | 605 | InterPro | IPR003060 | Pyocin S killer protein |
| 397 | 420 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 397 | 420 | InterPro | IPR003060 | Pyocin S killer protein |
| 551 | 570 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 551 | 570 | InterPro | IPR003060 | Pyocin S killer protein |
| 448 | 466 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 448 | 466 | InterPro | IPR003060 | Pyocin S killer protein |
| 629 | 646 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 629 | 646 | InterPro | IPR003060 | Pyocin S killer protein |
| 314 | 335 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 314 | 335 | InterPro | IPR003060 | Pyocin S killer protein |
| 362 | 380 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 362 | 380 | InterPro | IPR003060 | Pyocin S killer protein |
| 606 | 625 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 606 | 625 | InterPro | IPR003060 | Pyocin S killer protein |
| 667 | 686 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 667 | 686 | InterPro | IPR003060 | Pyocin S killer protein |
| 341 | 361 | PRINTS | PR01300 | Pyocin S killer protein signature |
| 341 | 361 | InterPro | IPR003060 | Pyocin S killer protein |
| 242 | 262 | Coils | Coil | Coil |
| 556 | 689 | Gene3D | G3DSA:3.90.540.10 | Colicin/pyocin, DNase domain |
| 556 | 689 | InterPro | IPR037146 | Colicin/pyocin, DNase domain superfamily |
| 169 | 203 | Coils | Coil | Coil |
| 322 | 584 | SUPERFAMILY | SSF69369 | Cloacin translocation domain |
| 322 | 584 | InterPro | IPR036302 | Pyosin/cloacin translocation domain superfamily |
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
2 + 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 |
|---|---|---|---|---|---|---|---|
| 7 | 0.645 | ||||||
| 3 | 0.506 | ||||||
| 2 | 0.438 |
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 |
|---|---|---|---|---|---|---|
| MLA | P09883 | 104.1 Da LogP -0.45 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)O)C(=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 |
|---|---|---|---|---|---|
| ZINC1532902 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC3593496 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC3593497 | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC14686440 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…
|
| ZINC14686442 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…
|
| ZINC14686444 | 0.625 | 436.4 Da LogP -2.64 TPSA 247.9 | 1 viol. | ✓ Clean |
O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…
|
| ZINC13398039 | 0.577 | 234.2 Da LogP -0.38 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC2528012 | 0.577 | 234.2 Da LogP -0.38 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC146315135 | 0.560 | 204.2 Da LogP 0.86 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC146315336 | 0.560 | 204.2 Da LogP 0.86 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
CCCCC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC1850353 | 0.556 | 206.1 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC(O)(CC(=O)O)CC(=O)O
|
| ZINC13398014 | 0.522 | 220.2 Da LogP -1.07 TPSA 110.1 | ✓ Ro5 | ✓ Clean |
COC(=O)CC(O)(CC(=O)OC)C(=O)O
|
| ZINC3861629 | 0.522 | 206.1 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C(O)(CC(=O)O)CC(=O)O
|
| ZINC100969993 | 0.500 | 359.5 Da LogP 2.70 TPSA 123.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC100969996 | 0.500 | 359.5 Da LogP 2.70 TPSA 123.9 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCNC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC138079998 | 0.500 | 212.0 Da LogP 1.41 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
C=C(I)CC(=O)O
|
| ZINC1711854 | 0.500 | 248.2 Da LogP -0.13 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CC(CC(=O)O)(CC(=O)O)CC(=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.