MolNFT v1 · #1424 · protein
Alcohol dehydrogenase from drosophila lebanonensis ternary complex with NAD-3-pentanone
1B16 · Protein (alcohol dehydrogenase): “Alcohol dehydrogenase from drosophila lebanonensis ternary complex with NAD-3-pentanone”. X-ray diffraction, 1 ligand (NAQ), 4 pockets (best druggability 0.73). MolNFT v1 #1424 on GenesisL1: 3D…
- PDB
- 1B16
- Type
- protein
- Length
- 508 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (alcohol dehydrogenase)
- EC
- 1.1.1.1
- UniProt
- P10807
- Ligands
- NAQ
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (alcohol dehydrogenase) (EC 1.1.1.1) | protein | 254 | 44% helix, 19% strand | P10807 |
Ligands and binding sites
- NAQ · Nicotinamide adenine dinucleotide 3-pentanone adduct · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.73 | 0.85 | 43 | NAQ |
| 2 | 348 | 0.72 | 0.84 | 45 | NAQ |
| 3 | 188 | 0.63 | 0.84 | 45 | empty |
| 4 | 63 | 0.32 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2600 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 1B16 · Alcohol dehydrogenase from drosophila lebanonensis ternary complex with NAD-3-pentanone · the same entry in another collection · chain A against A, TM-score 1.00
- P10807 · AlphaFold monomer V2.0 prediction for alcohol dehydrogenase (P10807) · a predicted model of the same protein · chain A 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 1B16 · PDBe 1B16 · UniProt P10807
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