Research workbench
Rat dihydroorotate dehydrogenase (DHOD)IN complex with brequinar
Analyse Rat dihydroorotate dehydrogenase (DHOD)IN complex with brequinar in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UUO
- Type
- protein
- Length
- 351 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase
- EC
- 1.3.99.11
- UniProt
- Q63707
- Ligands
- BRF, FMN, ORO, NI, NA
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (EC 1.3.99.11) | protein | 351 | 44% helix, 17% strand | Q63707 |
Ligands and binding sites
- BRF · 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- NA · Sodium ion · metal
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.82 | 0.86 | 84 | BRF, FMN, ORO |
| 2 | 121 | 0.48 | 0.80 | 19 | empty |
| 3 | 51 | 0.38 | 0.81 | 15 | empty |
| 4 | 58 | 0.35 | 0.78 | 16 | NI |
| 5 | 52 | 0.25 | 0.73 | 17 | empty |
Compared structures
- 1UUO · Rat dihydroorotate dehydrogenase (DHOD)in complex with brequinar · the same entry in another collection · chain A against A, TM-score 1.00
- Q63707 · 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 Q63707
- Elsewhere: RCSB PDB 1UUO · PDBe 1UUO · UniProt Q63707
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