MolNFT v1 · #125378 · protein
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
5L78 · Alpha-aminoadipic semialdehyde synthase, mitochondrial: “Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+…”. X-ray diffraction, 1 ligand (NAD), 8 pockets (best druggability…
- PDB
- 5L78
- Type
- protein
- Length
- 871 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-aminoadipic semialdehyde synthase, mitochondrial
- EC
- 1.5.1.8, 1.5.1.9
- UniProt
- Q9UDR5
- Ligands
- NAD
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-aminoadipic semialdehyde synthase, mitochondrial (EC 1.5.1.8, 1.5.1.9) | protein | 436 | 40% helix, 24% strand | Q9UDR5 |
| B | Alpha-aminoadipic semialdehyde synthase, mitochondrial (EC 1.5.1.8, 1.5.1.9) | protein | 435 | 39% helix, 24% strand | Q9UDR5 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 750 | 0.74 | 0.79 | 76 | EDO, NAD |
| 2 | 676 | 0.72 | 0.79 | 69 | NAD |
| 3 | 277 | 0.60 | 0.79 | 36 | empty |
| 4 | 159 | 0.48 | 0.77 | 28 | empty |
| 5 | 151 | 0.46 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1169 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5L78 · Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UDR5 · AlphaFold monomer V2.0 prediction for alpha-aminoadipic semialdehyde synthase… · 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 Q9UDR5
- Elsewhere: RCSB PDB 5L78 · PDBe 5L78 · UniProt Q9UDR5
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