Research workbench
Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and pyrazole
Analyse Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8G2X
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.47
- Source
- Equus caballus
- Molecule
- Alcohol dehydrogenase E chain
- EC
- 1.1.1.1
- UniProt
- P00327
- Ligands
- NAJ, PZO, ZN
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · resolution 1.47 · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase E chain (EC 1.1.1.1) | protein | 374 | 30% helix, 25% strand | P00327 |
Ligands and binding sites
- NAJ · Nicotinamide-adenine-dinucleotide (acidic form) · ligand · 2 copies · chains A, B
- PZO · Pyrazole · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 372 | 0.72 | 0.84 | 48 | NAJ, PZO |
| 2 | 380 | 0.71 | 0.83 | 48 | NAJ, PZO |
| 3 | 413 | 0.68 | 0.80 | 47 | empty |
| 4 | 159 | 0.47 | 0.76 | 31 | empty |
| 5 | 114 | 0.44 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1779 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 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 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 P00327
- Elsewhere: RCSB PDB 8G2X · PDBe 8G2X · UniProt P00327
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