MolNFT v1 · #170245 · protein
X-ray structure of lactobacillus brevis alcohol dehydrogenase mutant D54F
6Y1C · R-specific alcohol dehydrogenase: “X-ray structure of lactobacillus brevis alcohol dehydrogenase mutant D54F”. X-ray diffraction, 2 ligands (MG, CL), 2 pockets (best druggability 0.73). MolNFT v1 #170245 on GenesisL1: 3D structure…
- PDB
- 6Y1C
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- R-specific alcohol dehydrogenase
- UniProt
- Q84EX5
- Ligands
- MG, CL
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | R-specific alcohol dehydrogenase | protein | 251 | 47% helix, 16% strand | Q84EX5 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains A
- PGE · Triethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 648 | 0.73 | 0.79 | 46 | EDO, CL |
| 2 | 577 | 0.72 | 0.80 | 46 | PEG |
Interfaces
1 interface between chains.
- A–B · 1715 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 6Y1C · X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F · 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 Q84EX5
- Elsewhere: RCSB PDB 6Y1C · PDBe 6Y1C · UniProt Q84EX5
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