MolNFT v1 · #159028 · protein
Crystal structure of human dhodh with osu-03012
6OC0 · Dihydroorotate dehydrogenase (quinone), mitochondrial: “Crystal structure of human dhodh with osu-03012”. X-ray diffraction, 4 ligands (ORO, FMN, M4J), 3 pockets (best druggability 0.83). MolNFT v1 #159028 on GenesisL1: 3D…
- PDB
- 6OC0
- Type
- protein
- Length
- 365 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
- Q02127
- Ligands
- ORO, FMN, M4J, SO4
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 365 | 45% helix, 16% strand | Q02127 |
Ligands and binding sites
- ORO · Orotic acid · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- M4J · N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.83 | 0.90 | 63 | ORO, FMN, M4J |
| 2 | 100 | 0.44 | 0.79 | 21 | SO4 |
| 3 | 94 | 0.40 | 0.78 | 18 | empty |
Compared structures
- 6OC0 · Crystal structure of human DHODH with OSU-03012 · 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 Q02127
- Elsewhere: RCSB PDB 6OC0 · PDBe 6OC0 · UniProt Q02127
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