MolNFT v1 · #17662 · protein
Crystal structure of the binary complex: NADP(H)-dependent vertebrate alcohol dehydrogenase (ADH8) with the cofactor NADP
1P0F · NADP-dependent alcohol dehydrogenase: “Crystal structure of the binary complex: NADP(H)-dependent vertebrate alcohol dehydrogenase (ADH8) with the…”. X-ray diffraction, 2 ligands (NAP, ZN), 5 pockets (best druggability 0.77). MolNFT…
- PDB
- 1P0F
- Type
- protein
- Length
- 744 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADP-dependent alcohol dehydrogenase
- EC
- 1.1.1.2
- UniProt
- O57380
- Ligands
- NAP, ZN
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NADP-dependent alcohol dehydrogenase (EC 1.1.1.2) | protein | 372 | 28% helix, 26% strand | O57380 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 723 | 0.77 | 0.81 | 79 | NAP, GOL |
| 2 | 727 | 0.76 | 0.81 | 79 | NAP, GOL |
| 3 | 426 | 0.67 | 0.80 | 55 | empty |
| 4 | 123 | 0.52 | 0.81 | 21 | empty |
| 5 | 134 | 0.49 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1667 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 1P0F · Crystal Structure of the Binary Complex: NADP(H)-Dependent Vertebrate Alcohol… · the same entry in another collection · chain A against A, TM-score 1.00
- O57380 · AlphaFold monomer V2.0 prediction for NADP-dependent alcohol dehydrogenase (O57380) · 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 O57380
- Elsewhere: RCSB PDB 1P0F · PDBe 1P0F · UniProt O57380
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