Research workbench
Crystal structure of human dhodh with tak-632
Analyse Crystal structure of human dhodh with tak-632 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OC1
- Type
- protein
- Length
- 363 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, 1SU, PO4
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 363 | 44% helix, 17% strand | Q02127 |
Ligands and binding sites
- ORO · Orotic acid · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- 1SU · N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl) phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide · ligand · chains A
- PO4 · Phosphate ion · ion · 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 | 398 | 0.84 | 0.92 | 65 | ORO, FMN, 1SU |
| 2 | 119 | 0.44 | 0.77 | 18 | empty |
| 3 | 95 | 0.37 | 0.75 | 23 | empty |
| 4 | 77 | 0.35 | 0.76 | 18 | empty |
Compared structures
- 6OC1 · Crystal structure of human DHODH with TAK-632 · 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 6OC1 · PDBe 6OC1 · UniProt Q02127
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