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Crystal structure of L. lactis dihydroorotate dehydrogense a in complex with 3,4-dihydroxybenzoate
Analyse Crystal structure of L. lactis dihydroorotate dehydrogense a 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
- 2BSL
- Type
- protein
- Length
- 622 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydroorotate dehydrogenase a
- EC
- 1.3.99.11
- UniProt
- P54321
- Ligands
- FMN, DHB, MG
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydroorotate dehydrogenase a (EC 1.3.99.11) | protein | 311 | 37% helix, 20% strand | P54321 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- DHB · 3,4-dihydroxybenzoic acid · ligand · chains B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · 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 | 276 | 0.77 | 0.90 | 49 | FMN, DHB |
| 2 | 326 | 0.77 | 0.88 | 58 | FMN, ACT |
| 3 | 92 | 0.56 | 0.85 | 16 | GOL |
| 4 | 75 | 0.35 | 0.76 | 16 | empty |
| 5 | 55 | 0.31 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2336 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 2BSL · Crystal structure of L. lactis dihydroorotate dehydrogense A in complex with… · 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 P54321
- Elsewhere: RCSB PDB 2BSL · PDBe 2BSL · UniProt P54321
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