Research workbench
The crystal structure of alcohol dehydrogenase 10 from candida magnoliae
Analyse The crystal structure of alcohol dehydrogenase 10 from candida magnoliae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5MLN
- Type
- protein
- Length
- 475 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase 3
- UniProt
- B8K244
- Ligands
- NAP
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase 3 | protein | 237 | 42% helix, 16% strand | B8K244 |
| B | Alcohol dehydrogenase 3 | protein | 238 | 43% helix, 16% strand | B8K244 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.78 | 0.87 | 45 | NAP |
| 2 | 428 | 0.76 | 0.85 | 46 | NAP |
| 3 | 115 | 0.43 | 0.77 | 16 | empty |
| 4 | 52 | 0.31 | 0.77 | 16 | empty |
| 5 | 50 | 0.29 | 0.76 | 13 | PEG |
Interfaces
1 interface between chains.
- A–B · 1569 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5MLN · The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae · 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 B8K244
- Elsewhere: RCSB PDB 5MLN · PDBe 5MLN · UniProt B8K244
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