Research workbench
Structure of triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 ångströms resolution
Analyse Structure of triclinic ternary complex of horse liver alcohol dehydrogenase at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ADH
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Holo-liver alcohol dehydrogenase
- EC
- 1.1.1.1
- UniProt
- P00327
- Ligands
- NAD, ZN
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Holo-liver alcohol dehydrogenase (EC 1.1.1.1) | protein | 374 | 18% helix, 22% strand | P00327 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 550 | 0.76 | 0.83 | 62 | ZN, NAD, DMS |
| 2 | 448 | 0.73 | 0.83 | 55 | NAD, DMS |
| 3 | 59 | 0.64 | 0.94 | 19 | empty |
| 4 | 315 | 0.62 | 0.79 | 45 | empty |
| 5 | 169 | 0.46 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1669 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6ADH · Structure of triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9… · the same entry in another collection · chain A against A, TM-score 1.00
- P00327 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase E chain (P00327) · a predicted model of the same protein · chain B 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 P00327
- Elsewhere: RCSB PDB 6ADH · PDBe 6ADH · UniProt P00327
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