MolNFT v1 · #102631 · protein
Rat dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4- (TRIFLUOROMETHYL)PHENYL]-5-methyl-2-(TRIFLUOROMETHYL)[1,2, 4]TRIAZOLO[1,5-A]PYRIMIDIN-7-amine)
4ORI · Dihydroorotate dehydrogenase (quinone), mitochondrial: “Rat dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4…”. X-ray diffraction, 3 ligands (FMN, ORO, 2V6), 4 pockets (best druggability 0.84). MolNFT v1 #102631 on…
- PDB
- 4ORI
- Type
- protein
- Length
- 355 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
- Q63707
- Ligands
- FMN, ORO, 2V6
- Pockets
- 4 · best druggability 0.84
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 | 355 | 45% helix, 17% strand | Q63707 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 541 | 0.84 | 0.90 | 73 | FMN, ORO, 2V6 |
| 2 | 114 | 0.48 | 0.79 | 20 | empty |
| 3 | 90 | 0.38 | 0.76 | 17 | empty |
| 4 | 66 | 0.34 | 0.77 | 16 | empty |
Compared structures
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 Q63707
- Elsewhere: RCSB PDB 4ORI · PDBe 4ORI · UniProt Q63707
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