Research workbench
Complex with isocitrate and the protein isocitrate dehydrogenase from the psychrophilic bacterium desulfotalea psychrophila
Analyse Complex with isocitrate and the protein isocitrate dehydrogenase from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2UXR
- Type
- protein
- Length
- 797 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isocitrate dehydrogenase
- UniProt
- Q6AQ66
- Ligands
- ICT, MG
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isocitrate dehydrogenase | protein | 402 | 45% helix, 22% strand | Q6AQ66 |
| B | Isocitrate dehydrogenase | protein | 395 | 39% helix, 24% strand | Q6AQ66 |
Ligands and binding sites
- ICT · Isocitric acid · ligand · 3 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.83 | 0.99 | 22 | empty |
| 2 | 854 | 0.77 | 0.81 | 56 | ICT |
| 3 | 773 | 0.77 | 0.81 | 56 | ICT, MG |
| 4 | 57 | 0.65 | 0.94 | 18 | empty |
| 5 | 269 | 0.53 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 4346 Ų buried · 78 hydrogen bonds · protein-protein
Compared structures
- 2UXR · Complex with isocitrate and the protein isocitrate dehydrogenase from the psychrophilic… · 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 Q6AQ66
- Elsewhere: RCSB PDB 2UXR · PDBe 2UXR · UniProt Q6AQ66
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.