MolNFT v1 · #79303 · protein
Crystal structure of human ALDH3A1 - apo form
3SZA · Aldehyde dehydrogenase, dimeric NADP-preferring: “Crystal structure of human ALDH3A1 - apo form”. X-ray diffraction, 1 ligand (K), 10 pockets (best druggability 0.84). MolNFT v1 #79303 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3SZA
- Type
- protein
- Length
- 899 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase, dimeric NADP-preferring
- EC
- 1.2.1.5
- UniProt
- P30838
- Ligands
- K
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde dehydrogenase, dimeric NADP-preferring (EC 1.2.1.5) | protein | 447 | 47% helix, 17% strand | P30838 |
| B | Aldehyde dehydrogenase, dimeric NADP-preferring (EC 1.2.1.5) | protein | 452 | 46% helix, 17% strand | P30838 |
Ligands and binding sites
- K · Potassium ion · metal · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1092 | 0.84 | 0.85 | 118 | empty |
| 2 | 355 | 0.73 | 0.85 | 41 | empty |
| 3 | 425 | 0.73 | 0.83 | 42 | empty |
| 4 | 287 | 0.61 | 0.79 | 37 | empty |
| 5 | 295 | 0.60 | 0.78 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 4169 Ų buried · 74 hydrogen bonds · protein-protein
Compared structures
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 P30838
- Elsewhere: RCSB PDB 3SZA · PDBe 3SZA · UniProt P30838
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