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Structure of human dihydroorotate dehydrogenase with a bound inhibitor
Analyse Structure of human dihydroorotate dehydrogenase with a bound inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZWT
- Type
- protein
- Length
- 353 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase (quinone), mitochondrial
- EC
- 1.3.3.1, 1.3.5.2
- UniProt
- Q02127
- Ligands
- FMN, ORO, KFZ, SO4, CL
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydroorotate dehydrogenase (quinone), mitochondrial (EC 1.3.3.1, 1.3.5.2) | protein | 353 | 45% helix, 17% strand | Q02127 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- ORO · Orotic acid · ligand · chains A
- KFZ · 2-{[(2,5-dichlorophenyl)methyl]sulfanyl}-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.83 | 0.91 | 61 | FMN, ORO, KFZ |
| 2 | 95 | 0.45 | 0.80 | 20 | ACT |
| 3 | 95 | 0.45 | 0.80 | 18 | SO4 |
Compared structures
- 3ZWT · Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor · 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 3ZWT · PDBe 3ZWT · UniProt Q02127
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