Research workbench
Aldehyde dehydrogenase from bovine mitochondria complex with NAD (reduced) and samarium (III)
Analyse Aldehyde dehydrogenase from bovine mitochondria complex with NAD (reduced) and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1A4Z
- Type
- protein
- Length
- 1,972 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde dehydrogenase
- EC
- 1.2.1.3
- UniProt
- P20000
- Ligands
- NAD, SM
- Pockets
- 20 · best druggability 0.90
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aldehyde dehydrogenase (EC 1.2.1.3) | protein | 493 | 40% helix, 22% strand | P20000 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B, C, D
- SM · Samarium (III) ion · metal · 4 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 949 | 0.90 | 0.93 | 72 | empty |
| 2 | 440 | 0.86 | 0.93 | 41 | empty |
| 3 | 189 | 0.83 | 0.97 | 38 | empty |
| 4 | 193 | 0.83 | 0.97 | 38 | empty |
| 5 | 203 | 0.83 | 0.97 | 40 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2927 Ų buried · 46 hydrogen bonds · protein-protein
- C–D · 2899 Ų buried · 42 hydrogen bonds · protein-protein
- B–C · 1605 Ų buried · 36 hydrogen bonds · protein-protein
- A–D · 1591 Ų buried · 33 hydrogen bonds · protein-protein
- B–D · 1190 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1A4Z · Aldehyde dehydrogenase from bovine mitochondria complex with NAD (reduced) and samarium… · the same entry in another collection · chain A against A, TM-score 1.00
- P20000 · AlphaFold monomer V2.0 prediction for aldehyde dehydrogenase, mitochondrial (P20000) · a predicted model of the same protein · 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 P20000
- Elsewhere: RCSB PDB 1A4Z · PDBe 1A4Z · UniProt P20000
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