MolNFT v1 · #105982 · protein
Crystal structure of human dihydroorotate dehydrogenase (dhodh) with DH03A048
4RLI · Dihydroorotate dehydrogenase (quinone), mitochondrial: “Crystal structure of human dihydroorotate dehydrogenase (dhodh) with DH03A048”. X-ray diffraction, 3 ligands (FMN, ORO, 3SH), 5 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 4RLI
- Type
- protein
- Length
- 350 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
- FMN, ORO, 3SH
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.5.2) | protein | 350 | 43% helix, 17% strand | Q02127 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- 3SH · ethyl 2-[(3-chloro-4-methylphenyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate · ligand · chains A
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 | 395 | 0.81 | 0.89 | 57 | FMN, ORO, 3SH |
| 2 | 78 | 0.44 | 0.81 | 19 | empty |
| 3 | 105 | 0.42 | 0.78 | 22 | empty |
| 4 | 57 | 0.36 | 0.79 | 19 | empty |
| 5 | 67 | 0.35 | 0.77 | 15 | empty |
Compared structures
- 4RLI · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 · 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 4RLI · PDBe 4RLI · UniProt Q02127
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