Amino acids
323
Annotations
5
Features
24
PDB binders
12
Druggability
0.545
Overview
Basic information about this protein and its source genome.
- Accession
- PA5080
- Gene
- PA5080
- Status
- annotated
- Amino acids
- 323
- Structure source
- AlphaFold
EC
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0004177 Catalysis of the hydrolysis of a single N-terminal amino acid residue from a polypeptide chain.
GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 37.037
- Human E-value
- 7.83e-06
- 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.
FPocket
0.545
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
4 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
4- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0004177 Catalysis of the hydrolysis of a single N-terminal amino acid residue from a polypeptide chain.
- GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
- GO:0008233 Catalysis of the hydrolysis of a peptide bond. A peptide bond is a covalent bond formed when the carbon atom from the carboxyl group of one amino acid shares electrons with the nitrogen atom from the amino group of a second amino acid.
Sequence Features
Domain/signature hits from InterPro and related databases.
24 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 312 | Gene3D | G3DSA:3.40.50.1820 | alpha/beta hydrolase |
| 1 | 312 | InterPro | IPR029058 | Alpha/Beta hydrolase fold |
| 9 | 311 | NCBIfam | TIGR01249 | prolyl aminopeptidase |
| 9 | 311 | InterPro | IPR005944 | Proline iminopeptidase |
| 63 | 74 | PRINTS | PR00793 | Prolyl aminopeptidase (S33) family signature |
| 63 | 74 | InterPro | IPR002410 | Peptidase S33 |
| 106 | 120 | PRINTS | PR00793 | Prolyl aminopeptidase (S33) family signature |
| 106 | 120 | InterPro | IPR002410 | Peptidase S33 |
| 37 | 45 | PRINTS | PR00793 | Prolyl aminopeptidase (S33) family signature |
| 37 | 45 | InterPro | IPR002410 | Peptidase S33 |
| 1 | 315 | PIRSF | PIRSF006431 | Pro_iminopeptidase |
| 1 | 315 | InterPro | IPR005944 | Proline iminopeptidase |
| 60 | 75 | PRINTS | PR00111 | Alpha/beta hydrolase fold signature |
| 60 | 75 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 106 | 119 | PRINTS | PR00111 | Alpha/beta hydrolase fold signature |
| 106 | 119 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 120 | 133 | PRINTS | PR00111 | Alpha/beta hydrolase fold signature |
| 120 | 133 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 4 | 313 | PANTHER | PTHR43722 | PROLINE IMINOPEPTIDASE |
| 4 | 313 | InterPro | IPR005944 | Proline iminopeptidase |
| 36 | 296 | Pfam | PF00561 | alpha/beta hydrolase fold |
| 36 | 296 | InterPro | IPR000073 | Alpha/beta hydrolase fold-1 |
| 4 | 296 | SUPERFAMILY | SSF53474 | alpha/beta-Hydrolases |
| 4 | 296 | InterPro | IPR029058 | Alpha/Beta hydrolase fold |
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...
Legend
High
Medium
Low
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
PA5080
|
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 |
|---|---|---|---|---|---|---|---|
| 2 | 0.545 | ||||||
| 1 | 0.211 |
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.
65 records
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 |
|---|---|---|---|---|---|---|
| 6OR | P9WNH5 | 243.1 Da LogP 1.95 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O
|
|
| 6OT | P9WNH5 | 226.1 Da LogP 1.64 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
c1c(cc(cc1Cl)Cl)S(=O)(=O)N
|
|
| ATX | O32449 | 197.2 Da LogP 0.90 TPSA 82.0 | ✓ Ro5 | ✓ Clean |
C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N
|
|
| FGZ | P9WNH5 | 207.0 Da LogP 2.40 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
c1c(cc(c(c1Cl)O)Cl)C(=O)O
|
|
| FLC | A0A2H4A311 | 189.1 Da LogP -5.25 TPSA 140.6 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
|
|
| HPK | P9WNH5 | 217.2 Da LogP 0.13 TPSA 74.3 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C(=O)C\C=C\C(=O)C(=O)[O-]
|
|
| KEK | P9WNH5 | 293.7 Da LogP 1.35 TPSA 74.3 | ✓ Ro5 | ✓ Clean |
C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl
|
|
| KEM | P9WNH5 | 349.4 Da LogP 0.60 TPSA 111.6 | ✓ Ro5 | ✓ Clean |
C[C@H](\C=C\C(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2…
|
|
| PCS | P96084 | 197.7 Da LogP 1.36 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C[C@@H](C(=O)CCl)N
|
|
| PHK | P96084 | 199.7 Da LogP 1.16 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
c1ccc(cc1)C[C@@H]([C@H](CCl)O)N
|
|
| PTB | O32449 | 223.3 Da LogP 1.30 TPSA 68.0 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2
|
|
| STX | O32449 | 197.2 Da LogP 0.77 TPSA 68.0 | ✓ Ro5 | ✓ Clean |
CC(C)(C)c1nnc(o1)C(=O)CNC
|
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL4277989 | Q6IE26 | — | 466.5 Da LogP 4.40 TPSA 80.5 | ✓ Ro5 | ✓ Clean |
O=C(N1C[C@@H](O)C=C[C@@H]1COCc1ccccc1)n1cc(-c2c…
|
| CHEMBL4281906 | Q6IE26 | — | 419.4 Da LogP 3.67 TPSA 103.4 | ✓ Ro5 | ✓ Clean |
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc([N+](…
|
| CHEMBL4288486 | Q6IE26 | — | 374.4 Da LogP 3.76 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccccc2)nn1
|
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 |
|---|---|---|---|---|---|
| ZINC156492 | 1.000 | 207.0 Da LogP 2.40 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc(Cl)c(O)c(Cl)c1
|
| ZINC1737176 | 1.000 | 243.1 Da LogP 1.95 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=S(=O)(O)c1cc(Cl)c(O)c(Cl)c1
|
| ZINC90873 | 1.000 | 226.1 Da LogP 1.64 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1cc(Cl)cc(Cl)c1
|
| ZINC113264413 | 0.778 | 317.4 Da LogP 3.98 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
| ZINC113264415 | 0.778 | 317.4 Da LogP 3.98 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
| ZINC2244337 | 0.778 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
|
| ZINC2244338 | 0.778 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
|
| ZINC1834294 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(C[C@H](N)C(=O)O)c1)C(=O)O
|
| ZINC1834295 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(C[C@@H](N)C(=O)O)c1)C(=O)O
|
| ZINC1834297 | 0.769 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1cccc(C[C@@H](N)C(=O)O)c1)C(=O)O
|
| ZINC2243582 | 0.760 | 223.6 Da LogP 0.87 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
Nc1cc(S(=O)(=O)O)cc(Cl)c1O
|
| ZINC238672089 | 0.739 | 206.7 Da LogP 0.57 TPSA 86.2 | ✓ Ro5 | ✓ Clean |
Nc1cc(Cl)cc(S(N)(=O)=O)c1
|
| ZINC39351856 | 0.731 | 328.4 Da LogP 1.26 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(-c2ccc(C[C@H](N)C(=O)O)cc2)cc1)C…
|
| ZINC2561081 | 0.724 | 269.3 Da LogP 1.87 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
| ZINC2561082 | 0.724 | 269.3 Da LogP 1.87 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
| ZINC72260269 | 0.720 | 251.5 Da LogP 2.51 TPSA 57.5 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc(Cl)c(O)c(Br)c1
|
| ZINC229783808 | 0.708 | 209.6 Da LogP 1.13 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1cc(F)cc(Cl)c1
|
| ZINC238502972 | 0.708 | 205.7 Da LogP 1.30 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
Cc1cc(Cl)cc(S(N)(=O)=O)c1
|
| ZINC238618078 | 0.708 | 270.5 Da LogP 1.75 TPSA 60.2 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1cc(Cl)cc(Br)c1
|
| ZINC95724159 | 0.708 | 207.6 Da LogP 0.69 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1cc(O)cc(Cl)c1
|
| ZINC113539705 | 0.700 | 265.3 Da LogP 2.04 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)O
|
| ZINC113539708 | 0.700 | 265.3 Da LogP 2.04 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C#Cc2ccccc2)cc1)C(=O)O
|
| ZINC116910786 | 0.700 | 269.3 Da LogP 3.06 TPSA 88.0 | ✓ Ro5 | Alert |
N[C@@H](Cc1ccc(/N=N/c2ccccc2)cc1)C(=O)O
|
| ZINC29566843 | 0.700 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1cccc(-c2ccccc2)c1)C(=O)O
|
| ZINC29570997 | 0.700 | 241.3 Da LogP 2.31 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1cccc(-c2ccccc2)c1)C(=O)O
|
| ZINC44283581 | 0.700 | 257.3 Da LogP 2.43 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O
|
| ZINC44283583 | 0.700 | 257.3 Da LogP 2.43 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)O
|
| ZINC1100714 | 0.696 | 388.1 Da LogP 4.54 TPSA 74.6 | ✓ Ro5 | ✓ Clean |
O=S(=O)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
|
| ZINC2111574 | 0.692 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1C[C@H](N)C(=O)O)C(=O)O
|
| ZINC2111575 | 0.692 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC2111578 | 0.692 | 252.3 Da LogP -0.40 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC12648269 | 0.690 | 237.3 Da LogP 0.73 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](C[C@@H](Cc1ccccc1)C(=O)O)C(=O)O
|
| ZINC1616445 | 0.690 | 354.5 Da LogP 0.36 TPSA 110.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1cccc…
|
| ZINC1616446 | 0.690 | 354.5 Da LogP 0.36 TPSA 110.2 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@H](N)Cc1ccccc1
|
| ZINC1616447 | 0.690 | 354.5 Da LogP 0.36 TPSA 110.2 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccc…
|
| ZINC5225893 | 0.690 | 237.3 Da LogP 0.73 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](C[C@H](Cc1ccccc1)C(=O)O)C(=O)O
|
| ZINC133159 | 0.688 | 271.3 Da LogP 2.22 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
| ZINC133162 | 0.688 | 271.3 Da LogP 2.22 TPSA 72.5 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
| ZINC2041383 | 0.682 | 225.5 Da LogP 3.35 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1cc(Cl)c(Cl)c(Cl)c1
|
| ZINC32333 | 0.679 | 244.1 Da LogP 1.40 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(Br)cc1)C(=O)O
|
| ZINC32334 | 0.679 | 244.1 Da LogP 1.40 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(Br)cc1)C(=O)O
|
| ZINC3679925 | 0.679 | 291.1 Da LogP 1.25 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(I)cc1)C(=O)O
|
| ZINC391104 | 0.679 | 291.1 Da LogP 1.25 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(I)cc1)C(=O)O
|
| ZINC4202286 | 0.679 | 209.2 Da LogP 0.34 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(C(=O)O)cc1)C(=O)O
|
| ZINC4202287 | 0.679 | 209.2 Da LogP 0.34 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(C(=O)O)cc1)C(=O)O
|
| ZINC6092920 | 0.679 | 223.2 Da LogP 0.27 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccc(CC(=O)O)cc1)C(=O)O
|
| ZINC6506146 | 0.679 | 223.2 Da LogP 0.27 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccc(CC(=O)O)cc1)C(=O)O
|
| ZINC6580731 | 0.679 | 225.3 Da LogP 2.44 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
N[C@H](Cc1ccccc1)C(=O)c1ccccc1
|
| ZINC90624143 | 0.679 | 225.3 Da LogP 2.44 TPSA 43.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)c1ccccc1
|
| ZINC54918280 | 0.667 | 254.3 Da LogP 1.87 TPSA 55.1 | ✓ Ro5 | ✓ Clean |
N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
|
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.