Research workbench
Plasmodium falciparum dihydroorotate dehydrogenase (dhodh) in complex with idi-6253
Analyse Plasmodium falciparum dihydroorotate dehydrogenase (dhodh) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CQ9
- Type
- protein
- Length
- 734 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase
- UniProt
- Q54A96
- Ligands
- FMN, ORO, XBL
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydroorotate dehydrogenase | protein | 367 | 41% helix, 17% strand | Q54A96 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- ORO · Orotic acid · ligand · 2 copies · chains A, B
- XBL · 6-(3,4-dihydroisoquinolin-2(1H)-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.86 | 0.96 | 55 | FMN, ORO, XBL |
| 2 | 396 | 0.84 | 0.92 | 68 | FMN, ORO, XBL |
| 3 | 189 | 0.63 | 0.84 | 23 | empty |
| 4 | 312 | 0.56 | 0.76 | 23 | empty |
| 5 | 312 | 0.55 | 0.76 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 567 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4CQ9 · Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253 · 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 Q54A96
- Elsewhere: RCSB PDB 4CQ9 · PDBe 4CQ9 · UniProt Q54A96
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.