MolNFT v1 · #142726 · protein
Structure of triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 ångströms resolution
6ADH · Holo-liver alcohol dehydrogenase: “Structure of triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 ångströms resolution”. X-ray diffraction, 2 ligands (NAD, ZN), 6 pockets (best druggability 0.76). MolNFT v1…
- 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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