Research workbench
Crystal structure of trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+
Analyse Crystal structure of trypanosoma brucei glycosomal isocitrate dehydrogenase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AJ6
- Type
- protein
- Length
- 826 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isocitrate dehydrogenase [NADP]
- EC
- 1.1.1.42
- UniProt
- Q387G0
- Ligands
- NAP
- Pockets
- 12 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Isocitrate dehydrogenase [NADP] (EC 1.1.1.42) | protein | 413 | 45% helix, 15% strand | Q387G0 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.70 | 0.96 | 18 | empty |
| 2 | 244 | 0.53 | 0.77 | 49 | empty |
| 3 | 172 | 0.48 | 0.76 | 21 | empty |
| 4 | 171 | 0.47 | 0.76 | 20 | empty |
| 5 | 171 | 0.44 | 0.74 | 27 | empty |
Interfaces
1 interface between chains.
- A–C · 3179 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 6AJ6 · Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex… · 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 Q387G0
- Elsewhere: RCSB PDB 6AJ6 · PDBe 6AJ6 · UniProt Q387G0
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