MolNFT v1 · #102634 · protein
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with inhibitor DSM338 (N-[3,5-difluoro-4- (TRIFLUOROMETHYL)PHENYL]-5-methyl-2-(TRIFLUOROMETHYL)[1,2, 4]TRIAZOLO[1,5-A]PYRIMIDIN-7-amine)
4ORM · Dihydroorotate dehydrogenase (quinone), mitochondrial: “Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bound with inhibitor DSM338…”. X-ray diffraction, 4 ligands (2V6, FMN, ORO), 2 pockets (best…
- PDB
- 4ORM
- Type
- protein
- Length
- 375 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase (quinone), mitochondrial
- EC
- 1.3.5.2
- UniProt
- Q08210
- Ligands
- 2V6, FMN, ORO, SO4
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 375 | 45% helix, 17% strand | Q08210 |
Ligands and binding sites
- 2V6 · N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 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 | 408 | 0.85 | 0.93 | 66 | 2V6, FMN, ORO |
| 2 | 67 | 0.38 | 0.79 | 20 | empty |
Compared structures
- 4ORM · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · 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 0.99
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 4ORM · PDBe 4ORM · UniProt Q08210
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