Research workbench
Leishmania major dihydroorotate dehydrogenase in complex with orotate
Analyse Leishmania major dihydroorotate dehydrogenase in complex with orotate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GZ3
- Type
- protein
- Length
- 598 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase, putative
- EC
- 1.3.3.1
- UniProt
- Q4QEW7
- Ligands
- FMN, ORO
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydroorotate dehydrogenase, putative (EC 1.3.3.1) | protein | 299 | 40% helix, 24% strand | Q4QEW7 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- ORO · Orotic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
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 | 1153 | 0.79 | 0.81 | 126 | FMN, ORO |
| 2 | 138 | 0.48 | 0.78 | 21 | GOL |
| 3 | 145 | 0.47 | 0.77 | 21 | GOL |
Interfaces
1 interface between chains.
- A–B · 2130 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3GZ3 · Leishmania major Dihydroorotate Dehydrogenase in complex with orotate · 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 Q4QEW7
- Elsewhere: RCSB PDB 3GZ3 · PDBe 3GZ3 · UniProt Q4QEW7
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