MolNFT v1 · #156303 · protein
Crystal structure of human dihydroorotate dehydrogenase (dhodh) with piperine
6LZL · Dihydroorotate dehydrogenase (quinone), mitochondrial: “Crystal structure of human dihydroorotate dehydrogenase (dhodh) with piperine”. X-ray diffraction, 3 ligands (ORO, FMN, AYR), 5 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 6LZL
- Type
- protein
- Length
- 364 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, AYR
- Pockets
- 5 · best druggability 0.85
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 | 364 | 45% helix, 16% strand | Q02127 |
Ligands and binding sites
- ORO · Orotic acid · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- AYR · (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl) penta-2,4-dien-1-one · 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 | 489 | 0.85 | 0.92 | 64 | ORO, FMN, AYR |
| 2 | 85 | 0.46 | 0.82 | 18 | empty |
| 3 | 98 | 0.43 | 0.78 | 20 | empty |
| 4 | 77 | 0.41 | 0.79 | 19 | empty |
| 5 | 70 | 0.34 | 0.77 | 16 | empty |
Compared structures
- 6LZL · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine · 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 6LZL · PDBe 6LZL · UniProt Q02127
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