Amino acids
348
Annotations
11
Features
20
PDB binders
12
Druggability
0.8
Overview
Basic information about this protein and its source genome.
- Accession
- PA3527
- Gene
- PA3527 pyrC
- Status
- annotated
- Amino acids
- 348
- Structure source
- AlphaFold
EC
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0004151 Catalysis of the reaction: (S)-dihydroorotate + H2O = N-carbamoyl-L-aspartate + H+.
GO:0008270 Binding to a zinc ion (Zn).
GO:0006207 The chemical reactions and pathways resulting in the formation of pyrimidine nucleobases, 1,3-diazine, organic nitrogenous bases, beginning with the synthesis of a pyrimidine ring from simpler precursors.
GO:0044205 The chemical reactions and pathways resulting in the formation of UMP, uridine monophosphate, starting with the synthesis of (S)-dihydroorotate from bicarbonate; UMP biosynthesis may either occur via reduction by quinone, NAD+ or oxygen.
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.
FPocket
0.8
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
10 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
10- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0004151 Catalysis of the reaction: (S)-dihydroorotate + H2O = N-carbamoyl-L-aspartate + H+.
- GO:0008270 Binding to a zinc ion (Zn).
- GO:0006207 The chemical reactions and pathways resulting in the formation of pyrimidine nucleobases, 1,3-diazine, organic nitrogenous bases, beginning with the synthesis of a pyrimidine ring from simpler precursors.
- GO:0044205 The chemical reactions and pathways resulting in the formation of UMP, uridine monophosphate, starting with the synthesis of (S)-dihydroorotate from bicarbonate; UMP biosynthesis may either occur via reduction by quinone, NAD+ or oxygen.
- GO:0006221 The chemical reactions and pathways resulting in the formation of a pyrimidine nucleotide, a compound consisting of nucleoside (a pyrimidine base linked to a deoxyribose or ribose sugar) esterified with a phosphate group at either the 3' or 5'-hydroxyl group of the sugar.
- GO:0016812 Catalysis of the hydrolysis of any non-peptide carbon-nitrogen bond in a cyclic amide.
- GO:0019856 The chemical reactions and pathways resulting in the formation of pyrimidine nucleobases, 1,3-diazine, organic nitrogenous bases.
- GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
Sequence Features
Domain/signature hits from InterPro and related databases.
20 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 5 | 343 | NCBIfam | TIGR00856 | dihydroorotase, homodimeric type |
| 5 | 343 | InterPro | IPR004721 | Dihydroorotase homodimeric type |
| 3 | 343 | SUPERFAMILY | SSF51556 | Metallo-dependent hydrolases |
| 3 | 343 | InterPro | IPR032466 | Metal-dependent hydrolase |
| 5 | 341 | CDD | cd01294 | DHOase |
| 5 | 341 | InterPro | IPR004721 | Dihydroorotase homodimeric type |
| 2 | 344 | Gene3D | G3DSA:3.20.20.140 | - |
| 3 | 344 | Hamap | MF_00219 | Dihydroorotase [pyrC]. |
| 3 | 344 | InterPro | IPR004721 | Dihydroorotase homodimeric type |
| 12 | 20 | ProSitePatterns | PS00482 | Dihydroorotase signature 1. |
| 12 | 20 | InterPro | IPR002195 | Dihydroorotase, conserved site |
| 246 | 257 | ProSitePatterns | PS00483 | Dihydroorotase signature 2. |
| 246 | 257 | InterPro | IPR002195 | Dihydroorotase, conserved site |
| 3 | 343 | PANTHER | PTHR43137 | DIHYDROOROTASE |
| 3 | 343 | InterPro | IPR004721 | Dihydroorotase homodimeric type |
| 12 | 310 | Pfam | PF01979 | Amidohydrolase family |
| 12 | 310 | InterPro | IPR006680 | Amidohydrolase-related |
| 2 | 345 | FunFam | G3DSA:3.20.20.140:FF:000006 | Dihydroorotase |
| 1 | 346 | PIRSF | PIRSF001237 | Dihydroorotase |
| 1 | 346 | InterPro | IPR004721 | Dihydroorotase homodimeric type |
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...
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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
PA3527
|
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 | 0.337 | ||||||
| 3 | 0.317 | ||||||
| 6 | 0.291 |
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.
59 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 |
|---|---|---|---|---|---|---|
| 90R | P20051 | 188.2 Da LogP 1.72 TPSA 54.4 | ✓ Ro5 | Alert |
CC1=CC(=O)c2c(cccc2O)C1=O
|
|
| CP | B1IV40 | 141.0 Da LogP -0.83 TPSA 109.9 | ✓ Ro5 | ✓ Clean |
C(=O)(N)OP(=O)(O)O
|
|
| DOR | B1IV40 | 158.1 Da LogP -1.33 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
C1[C@H](NC(=O)NC1=O)C(=O)O
|
|
| FOT | P05020 | 174.1 Da LogP -1.10 TPSA 103.0 | ✓ Ro5 | ✓ Clean |
C1(=C(NC(=O)NC1=O)C(=O)O)F
|
|
| LMR | P20051 | 134.1 Da LogP -1.09 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C([C@@H](C(=O)O)O)C(=O)O
|
|
| MLI | P05020 | 102.0 Da LogP -3.12 TPSA 80.3 | ✓ Ro5 | ✓ Clean |
C(C(=O)[O-])C(=O)[O-]
|
|
| MLT | Q8ZFU4 | 134.1 Da LogP -1.09 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
C([C@H](C(=O)O)O)C(=O)O
|
|
| NCD | B1IV40 | 176.1 Da LogP -1.42 TPSA 129.7 | ✓ Ro5 | ✓ Clean |
C([C@@H](C(=O)O)NC(=O)N)C(=O)O
|
|
| ORO | P05020 | 156.1 Da LogP -1.24 TPSA 103.0 | ✓ Ro5 | ✓ Clean |
C1=C(NC(=O)NC1=O)C(=O)O
|
|
| OTD | P05020 | 186.1 Da LogP -1.28 TPSA 115.7 | ✓ Ro5 | ✓ Clean |
C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O
|
|
| URF | P20051 | 130.1 Da LogP -0.80 TPSA 65.7 | ✓ Ro5 | ✓ Clean |
C1=C(C(=O)NC(=O)N1)F
|
|
| WBU | P20051 | 127.1 Da LogP -1.35 TPSA 91.7 | ✓ Ro5 | ✓ Clean |
C1=C(C(=O)NC(=O)N1)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 |
|---|---|---|---|---|---|
| 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
|
| ZINC13335077 | 0.656 | 204.2 Da LogP 1.42 TPSA 74.6 | ✓ Ro5 | Alert |
CC1=CC(=O)c2c(ccc(O)c2O)C1=O
|
| ZINC1704707 | 0.633 | 204.2 Da LogP 1.42 TPSA 74.6 | ✓ Ro5 | Alert |
CC1=CC(=O)c2c(O)ccc(O)c2C1=O
|
| ZINC42852002 | 0.625 | 374.3 Da LogP 3.42 TPSA 108.7 | ✓ Ro5 | Alert |
CC1=CC(=O)c2c(O)ccc(-c3ccc(O)c4c3C(=O)C(C)=CC4=…
|
| ZINC385666 | 0.618 | 202.2 Da LogP 2.02 TPSA 43.4 | ✓ Ro5 | Alert |
COc1cccc2c1C(=O)C=C(C)C2=O
|
| ZINC5131908 | 0.609 | 249.2 Da LogP -1.57 TPSA 161.2 | ✓ Ro5 | ✓ Clean |
O=C(O)C[C@@H](N[C@H](CC(=O)O)C(=O)O)C(=O)O
|
| ZINC1642634 | 0.593 | 200.1 Da LogP -1.54 TPSA 140.3 | ✓ Ro5 | ✓ Clean |
O=C(O)c1[nH]c(=O)[nH]c(=O)c1C(=O)O
|
| ZINC1642475 | 0.571 | 282.0 Da LogP -0.63 TPSA 103.0 | ✓ Ro5 | ✓ Clean |
O=C(O)c1[nH]c(=O)[nH]c(=O)c1I
|
| ZINC1666478 | 0.571 | 235.0 Da LogP -0.48 TPSA 103.0 | ✓ Ro5 | ✓ Clean |
O=C(O)c1[nH]c(=O)[nH]c(=O)c1Br
|
| ZINC3875803 | 0.571 | 240.2 Da LogP 1.87 TPSA 74.6 | ✓ Ro5 | Alert |
O=C1c2cccc(O)c2C(=O)c2cccc(O)c21
|
| ZINC969509 | 0.563 | 213.1 Da LogP -2.12 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
|
| ZINC3860369 | 0.552 | 240.2 Da LogP 1.87 TPSA 74.6 | ✓ Ro5 | Alert |
O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
|
| ZINC205410870 | 0.545 | 202.1 Da LogP -0.62 TPSA 92.0 | ✓ Ro5 | ✓ Clean |
CCOC(=O)c1[nH]c(=O)[nH]c(=O)c1F
|
| ZINC8268096 | 0.545 | 231.2 Da LogP 0.32 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1
|
| ZINC2390918 | 0.531 | 261.3 Da LogP -1.51 TPSA 155.7 | ✓ Ro5 | ✓ Clean |
NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
|
| ZINC1087986 | 0.529 | 227.2 Da LogP -1.73 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
|
| 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
|
| ZINC1092752 | 0.520 | 238.0 Da LogP -0.33 TPSA 65.7 | ✓ Ro5 | ✓ Clean |
O=c1[nH]cc(I)c(=O)[nH]1
|
| ZINC129408 | 0.516 | 208.2 Da LogP 0.35 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NC(=O)N[C@H](Cc1ccccc1)C(=O)O
|
| ZINC3394329 | 0.516 | 232.2 Da LogP -1.05 TPSA 147.5 | ✓ Ro5 | ✓ Clean |
NC(=O)NCCCC[C@H](NC(N)=O)C(=O)O
|
| ZINC3394332 | 0.516 | 232.2 Da LogP -1.05 TPSA 147.5 | ✓ Ro5 | ✓ Clean |
NC(=O)NCCCC[C@@H](NC(N)=O)C(=O)O
|
| ZINC3875850 | 0.516 | 224.2 Da LogP 2.17 TPSA 54.4 | ✓ Ro5 | Alert |
O=C1c2ccccc2C(=O)c2c(O)cccc21
|
| ZINC4783234 | 0.516 | 256.2 Da LogP 1.58 TPSA 94.8 | ✓ Ro5 | Alert |
O=C1c2cccc(O)c2C(=O)c2c(O)ccc(O)c21
|
| ZINC1570586 | 0.515 | 346.3 Da LogP 2.41 TPSA 108.7 | ✓ Ro5 | Alert |
O=C1C=C(C2=CC(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)ccc…
|
| ZINC1681570 | 0.515 | 243.2 Da LogP -2.51 TPSA 126.5 | ✓ Ro5 | ✓ Clean |
O=C(c1cc(=O)[nH]c(=O)[nH]1)N(CCO)CCO
|
| ZINC168068 | 0.514 | 234.2 Da LogP 0.71 TPSA 98.7 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@H](c2ccc(O)cc2)N1
|
| ZINC168070 | 0.514 | 234.2 Da LogP 0.71 TPSA 98.7 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@@H](c2ccc(O)cc2)N1
|
| ZINC4502379 | 0.514 | 236.2 Da LogP 1.15 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@@H](c2ccc(F)cc2)N1
|
| ZINC4502380 | 0.514 | 236.2 Da LogP 1.15 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@H](c2ccc(F)cc2)N1
|
| ZINC5517553 | 0.514 | 252.7 Da LogP 1.66 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@@H](c2ccc(Cl)cc2)N1
|
| ZINC5517555 | 0.514 | 252.7 Da LogP 1.66 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@H](c2ccc(Cl)cc2)N1
|
| ZINC1621784 | 0.500 | 252.3 Da LogP 3.84 TPSA 37.3 | ✓ Ro5 | ✓ Clean |
Cc1c(C)c(C)c2c(c1C)C(=O)c1c(O)cccc1-2
|
| ZINC1722125 | 0.500 | 217.2 Da LogP -1.63 TPSA 154.3 | 1 viol. | ✓ Clean |
N=C(N)NCCC[C@H](NC(N)=O)C(=O)O
|
| ZINC19857527 | 0.500 | 277.1 Da LogP 0.34 TPSA 91.7 | ✓ Ro5 | ✓ Clean |
NC(c1c[nH]c(=O)[nH]c1=O)(C(F)(F)F)C(F)(F)F
|
| ZINC2106570 | 0.500 | 241.2 Da LogP -1.34 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
|
| ZINC2580680 | 0.500 | 232.2 Da LogP 1.32 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
Cc1ccc([C@@H]2C=C(C(=O)O)NC(=O)N2)cc1
|
| ZINC3861630 | 0.500 | 254.2 Da LogP 2.18 TPSA 74.6 | ✓ Ro5 | Alert |
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
|
| ZINC3883241 | 0.500 | 232.2 Da LogP 1.32 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
Cc1ccc([C@H]2C=C(C(=O)O)NC(=O)N2)cc1
|
| ZINC4261830 | 0.500 | 201.1 Da LogP -1.33 TPSA 146.2 | ✓ Ro5 | ✓ Clean |
O=C(O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
|
| ZINC4537126 | 0.500 | 217.2 Da LogP -1.63 TPSA 154.3 | 1 viol. | ✓ Clean |
N=C(N)NCCC[C@@H](NC(N)=O)C(=O)O
|
| ZINC510100 | 0.500 | 245.2 Da LogP -0.01 TPSA 94.8 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cc(=O)[nH]c(=O)[nH]1
|
| ZINC5517549 | 0.500 | 297.1 Da LogP 1.77 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@@H](c2ccc(Br)cc2)N1
|
| ZINC5517551 | 0.500 | 297.1 Da LogP 1.77 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C1NC(C(=O)O)=C[C@H](c2ccc(Br)cc2)N1
|
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.