MolNFT v1 · #1461 · protein
Alcohol dehydrogenase from drosophila lebanonensis: ternary complex with NAD-cyclohexanone
1B2L: “Alcohol dehydrogenase from drosophila lebanonensis: ternary complex with NAD-cyclohexanone”. X-ray diffraction, 3 ligands (NDC, CYH, CA), 1 pocket (best druggability 0.75). MolNFT v1 #1461 on GenesisL1: 3D structure, binding sites…
- PDB
- 1B2L
- Type
- protein
- Length
- 254 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- EC
- 1.1.1.1
- UniProt
- P10807
- Ligands
- NDC, CYH, CA
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase (EC 1.1.1.1) | protein | 254 | 44% helix, 19% strand | P10807 |
Ligands and binding sites
- NDC · Nicotinamide adenine dinucleotide cyclohexanone · ligand · chains A
- CYH · Cyclohexanone · ligand · chains A
- CA · Calcium ion · metal · chains A
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 571 | 0.75 | 0.82 | 48 | NDC, CYH, DTT |
Compared structures
- 1B2L · Alcohol dehydrogenase from drosophila lebanonensis: ternary complex with NAD-cyclohexanone · 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 0.98
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 1B2L · PDBe 1B2L · UniProt P10807
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