MolNFT v1 · #109329 · protein
Dihydroorotate dehydrogenase from leishmania viannia braziliensis
4WZH: “Dihydroorotate dehydrogenase from leishmania viannia braziliensis”. X-ray diffraction, 1 ligand (FMN), 5 pockets (best druggability 0.75). MolNFT v1 #109329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WZH
- Type
- protein
- Length
- 608 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase
- EC
- 1.3.98.1
- UniProt
- E9AI53
- Ligands
- FMN
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydroorotate dehydrogenase (EC 1.3.98.1) | protein | 304 | 40% helix, 23% strand | E9AI53 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.75 | 0.83 | 60 | FMN |
| 2 | 563 | 0.74 | 0.82 | 62 | FMN, GOL |
| 3 | 74 | 0.60 | 0.89 | 14 | empty |
| 4 | 138 | 0.49 | 0.78 | 22 | empty |
| 5 | 143 | 0.48 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2262 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 4WZH · Dihydroorotate dehydrogenase from Leishmania Viannia braziliensis · 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 E9AI53
- Elsewhere: RCSB PDB 4WZH · PDBe 4WZH · UniProt E9AI53
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