Research workbench
Betaine aldehyde dehydrogenase from cod liver
Analyse Betaine aldehyde dehydrogenase from cod liver in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BPW
- Type
- protein
- Length
- 2,012 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (aldehyde dehydrogenase)
- EC
- 1.2.1.8
- UniProt
- P56533
- Ligands
- NAD
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Protein (aldehyde dehydrogenase) (EC 1.2.1.8) | protein | 503 | 41% helix, 20% strand | P56533 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.83 | 0.95 | 34 | empty |
| 2 | 288 | 0.82 | 0.93 | 38 | empty |
| 3 | 865 | 0.78 | 0.80 | 78 | NAD |
| 4 | 893 | 0.77 | 0.80 | 82 | NAD |
| 5 | 878 | 0.77 | 0.80 | 80 | NAD |
Interfaces
6 interfaces between chains.
- A–B · 3469 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 3453 Ų buried · 41 hydrogen bonds · protein-protein
- B–D · 1088 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 1072 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1071 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1BPW · Betaine aldehyde dehydrogenase from cod liver · the same entry in another collection · chain A against A, TM-score 1.00
- P56533 · AlphaFold monomer V2.0 prediction for 4-trimethylaminobutyraldehyde dehydrogenase (P56533) · 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 P56533
- Elsewhere: RCSB PDB 1BPW · PDBe 1BPW · UniProt P56533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.