MolNFT v1 · #139129 · protein
Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (kgsadh) from azospirillum brasilense
5X5T · Alpha-ketoglutaric semialdehyde dehydrogenase: “Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (kgsadh) from azospirillum brasilense”. X-ray diffraction, 12 pockets (best druggability 0.82). MolNFT v1 #139129 on…
- PDB
- 5X5T
- Type
- protein
- Length
- 952 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutaric semialdehyde dehydrogenase
- EC
- 1.2.1.26, 1.2.1.24
- UniProt
- Q1JUP4
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-ketoglutaric semialdehyde dehydrogenase (EC 1.2.1.26, 1.2.1.24) | protein | 476 | 41% helix, 23% strand | Q1JUP4 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.82 | 0.84 | 92 | GOL |
| 2 | 282 | 0.67 | 0.83 | 40 | empty |
| 3 | 239 | 0.64 | 0.82 | 34 | empty |
| 4 | 51 | 0.62 | 0.93 | 21 | empty |
| 5 | 309 | 0.61 | 0.78 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 2639 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 5X5T · Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (KGSADH) from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q1JUP4 · AlphaFold monomer V2.0 prediction for alpha-ketoglutaric semialdehyde dehydrogenase 1… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q1JUP4
- Elsewhere: RCSB PDB 5X5T · PDBe 5X5T · UniProt Q1JUP4
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