MolNFT v1 · #23270 · protein
Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor
1TV5 · Dihydroorotate dehydrogenase homolog, mitochondrial: “Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor”. X-ray diffraction, 5 ligands (N8E, A26, FMN), 2 pockets (best druggability 0.84). MolNFT v1 #23270 on…
- PDB
- 1TV5
- Type
- protein
- Length
- 371 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase homolog, mitochondrial
- EC
- 1.3.99.11, 1.3.3.1
- UniProt
- Q08210
- Ligands
- N8E, A26, FMN, ORO, SO4
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase homolog, mitochondrial (EC 1.3.99.11, 1.3.3.1) | protein | 371 | 43% helix, 17% strand | Q08210 |
Ligands and binding sites
- N8E · 3,6,9,12,15-pentaoxatricosan-1-ol · ligand · 2 copies · chains A
- A26 · (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.84 | 0.93 | 64 | A26, FMN, ORO |
| 2 | 106 | 0.40 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1TV5 · Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q08210 · AlphaFold monomer V2.0 prediction for dihydroorotate dehydrogenase (quinone)… · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q08210
- Elsewhere: RCSB PDB 1TV5 · PDBe 1TV5 · UniProt Q08210
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