MolNFT v1 · #77582 · protein
Structure of alcohol dehydrogenase from drosophila lebanonesis T114V mutant complexed with NAD+
3RJ9: “Structure of alcohol dehydrogenase from drosophila lebanonesis T114V mutant complexed with NAD+”. X-ray diffraction, 1 ligand (NAD), 13 pockets (best druggability 0.75). MolNFT v1 #77582 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3RJ9
- Type
- protein
- Length
- 1,524 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- EC
- 1.1.1.1
- UniProt
- P10807
- Ligands
- NAD
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Alcohol dehydrogenase (EC 1.1.1.1) | protein | 254 | 43% helix, 18% strand | P10807 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.75 | 0.85 | 48 | NAD |
| 2 | 920 | 0.75 | 0.78 | 73 | NAD |
| 3 | 452 | 0.73 | 0.83 | 54 | NAD |
| 4 | 309 | 0.73 | 0.85 | 42 | NAD |
| 5 | 335 | 0.73 | 0.85 | 44 | NAD |
Interfaces
9 interfaces between chains.
- E–F · 2636 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2614 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2588 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 240 Ų buried · 1 hydrogen bond · protein-protein
- C–E · 197 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3RJ9 · Structure of alcohol dehydrogenase from Drosophila leba sis T114V mutant complexed with… · the same entry in another collection · chain F against F, TM-score 1.00
- P10807 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase (P10807) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P10807
- Elsewhere: RCSB PDB 3RJ9 · PDBe 3RJ9 · UniProt P10807
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