MolNFT v1 · #53456 · protein
Complex of human dihydroorotate dehydrogenase with the inhibitor 221290
2WV8 · Dihydroorotate dehydrogenase, mitochondrial: “Complex of human dihydroorotate dehydrogenase with the inhibitor 221290”. X-ray diffraction, 5 ligands (FMN, ORO, VGN), 4 pockets (best druggability 0.83). MolNFT v1 #53456 on GenesisL1…
- PDB
- 2WV8
- Type
- protein
- Length
- 365 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase, mitochondrial
- EC
- 1.3.5.2
- UniProt
- Q02127
- Ligands
- FMN, ORO, VGN, DDQ, SO4
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase, mitochondrial (EC 1.3.5.2) | protein | 365 | 46% helix, 16% strand | Q02127 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- VGN · 2-acetamido-5-(4-phenylphenyl)benzoic acid · ligand · chains A
- DDQ · Decylamine-N,N-dimethyl-N-oxide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- ACT · Acetate ion · additive · 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 | 402 | 0.83 | 0.91 | 58 | FMN, ORO, VGN |
| 2 | 93 | 0.44 | 0.79 | 27 | empty |
| 3 | 89 | 0.44 | 0.80 | 18 | empty |
| 4 | 100 | 0.43 | 0.79 | 19 | empty |
Compared structures
- 2WV8 · Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 · 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 2WV8 · PDBe 2WV8 · UniProt Q02127
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