MolNFT v1 · #90292 · protein
Crystal structure of lactococcus lactis alcohol dehydrogenase variant RE1
4EEZ · Alcohol dehydrogenase 1: “Crystal structure of lactococcus lactis alcohol dehydrogenase variant RE1”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.75). MolNFT v1 #90292 on GenesisL1: 3D structure, binding sites…
- PDB
- 4EEZ
- Type
- protein
- Length
- 681 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase 1
- EC
- 1.1.1.1
- UniProt
- D2BLA0
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase 1 (EC 1.1.1.1) | protein | 339 | 31% helix, 28% strand | D2BLA0 |
| B | Alcohol dehydrogenase 1 (EC 1.1.1.1) | protein | 342 | 32% helix, 28% strand | D2BLA0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.75 | 0.87 | 45 | empty |
| 2 | 626 | 0.70 | 0.78 | 65 | empty |
| 3 | 65 | 0.45 | 0.83 | 20 | empty |
| 4 | 142 | 0.43 | 0.75 | 31 | empty |
| 5 | 54 | 0.35 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1657 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4EEZ · Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase variant RE1 · the same entry in another collection · 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 D2BLA0
- Elsewhere: RCSB PDB 4EEZ · PDBe 4EEZ · UniProt D2BLA0
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