Research workbench
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 a, crystal 16
Analyse Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UEI
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase E chain
- EC
- 1.1.1.1
- UniProt
- P00327
- Ligands
- NAJ, PFB, ZN
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 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
- PFB · 2,3,4,5,6-pentafluorobenzyl alcohol · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- MRD · (4R)-2-methylpentane-2,4-diol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 571 | 0.76 | 0.82 | 82 | NAJ, PFB |
| 2 | 603 | 0.75 | 0.81 | 77 | NAJ, PFB |
| 3 | 398 | 0.67 | 0.80 | 48 | empty |
Interfaces
1 interface between chains.
- A–B · 1752 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 7UEI · Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A… · 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 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 7UEI · PDBe 7UEI · UniProt P00327
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