Overview
Basic information about this protein and its source genome.
- Accession
- PA1516
- Gene
- PA1516
- Status
- annotated
- Amino acids
- 171
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 34.839
- Human E-value
- 2.13e-26
- 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)
5- GO:0005777 A small organelle enclosed by a single membrane, and found in most eukaryotic cells. Contains peroxidases and other enzymes involved in a variety of metabolic processes including free radical detoxification, lipid catabolism and biosynthesis, and hydrogen peroxide metabolism.
- GO:0051997 Catalysis of the reaction: 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate + H+ = S-allantoin + CO2.
- GO:0000255 The chemical reactions and pathways involving allantoin, (2,5-dioxo-4-imidazolidinyl)urea, an intermediate or end product of purine catabolism.
- GO:0006144 The chemical reactions and pathways involving purine nucleobases, one of the two classes of nitrogen-containing ring compounds found in DNA and RNA, which include adenine and guanine.
- GO:0019628 The chemical reactions and pathways resulting in the breakdown of urate, the anion of uric acid, 2,6,8-trioxypurine.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 11 | 171 | SUPERFAMILY | SSF158694 | UraD-Like |
| 11 | 171 | InterPro | IPR036778 | Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase superfamily |
| 3 | 171 | PANTHER | PTHR43466 | 2-OXO-4-HYDROXY-4-CARBOXY-5-UREIDOIMIDAZOLINE DECARBOXYLASE-RELATED |
| 11 | 169 | Pfam | PF09349 | OHCU decarboxylase |
| 11 | 169 | InterPro | IPR018020 | Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase |
| 13 | 171 | NCBIfam | TIGR03164 | 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase |
| 13 | 171 | InterPro | IPR017580 | 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase, type 1 |
| 8 | 171 | Gene3D | G3DSA:1.10.3330.10 | - |
| 8 | 171 | InterPro | IPR036778 | Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase 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
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
PA1516
|
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 | 0.444 | ||||||
| 1 | 0.29 |
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 |
|---|---|---|---|---|---|---|
| 2AL | A1L259 | 156.1 Da LogP -1.70 TPSA 113.6 | ✓ Ro5 | ✓ Clean |
C1(=O)C(=NC(=O)N1)NC(=O)N
|
|
| 3AL | Q9LVM5 | 158.1 Da LogP -2.18 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
[C@H]1(C(=O)NC(=O)N1)NC(=O)N
|
|
| GUN | A1L259 | 151.1 Da LogP -0.77 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
c1[nH]c2c(n1)C(=O)NC(=N2)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 |
|---|---|---|---|---|---|
| ZINC9974955 | 0.625 | 215.0 Da LogP 0.41 TPSA 74.4 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c(Br)nc2[nH]cnc12
|
| ZINC12428236 | 0.529 | 232.2 Da LogP -0.74 TPSA 146.4 | ✓ Ro5 | ✓ Clean |
Nc1c2nc[nH]c2c(N)c2[nH]c(=O)c(=O)[nH]c12
|
| ZINC1511379 | 0.500 | 230.0 Da LogP -0.01 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]c(Br)nc2c(=O)[nH]1
|
| ZINC238628781 | 0.500 | 213.2 Da LogP 0.71 TPSA 87.3 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c(-c2ccccn2)nc2[nH]cnc12
|
| ZINC4878369 | 0.500 | 277.0 Da LogP -0.17 TPSA 100.4 | ✓ Ro5 | ✓ Clean |
Nc1nc2[nH]c(I)nc2c(=O)[nH]1
|
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.