MolNFT v1 · #142895 · protein
Crystal structure of ligand-free type dhodh from eimeria tenella
6AJ5 · Dihydroorotate dehydrogenase (quinone), mitochondrial: “Crystal structure of ligand-free type dhodh from eimeria tenella”. X-ray diffraction, 2 ligands (FMN, ORO), 18 pockets (best druggability 0.83). MolNFT v1 #142895 on GenesisL1…
- PDB
- 6AJ5
- Type
- protein
- Length
- 1,445 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase (quinone), mitochondrial
- EC
- 1.3.5.2
- UniProt
- U6KL66
- Ligands
- FMN, ORO
- Pockets
- 18 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 359 | 37% helix, 15% strand | U6KL66 |
| B, C, D | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 362 | 34% helix, 15% strand | U6KL66 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- ORO · Orotic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 786 | 0.83 | 0.86 | 93 | empty |
| 2 | 223 | 0.83 | 0.96 | 39 | FMN, ORO |
| 3 | 278 | 0.80 | 0.92 | 46 | FMN, ORO |
| 4 | 304 | 0.79 | 0.91 | 48 | FMN, ORO |
| 5 | 274 | 0.77 | 0.90 | 46 | FMN, ORO |
Interfaces
2 interfaces between chains.
- A–B · 699 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 602 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6AJ5 · Crystal structure of ligand-free type DHODH from Eimeria tenella · the same entry in another collection · 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 U6KL66
- Elsewhere: RCSB PDB 6AJ5 · PDBe 6AJ5 · UniProt U6KL66
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