Research workbench
X-ray crystal structure of a NADP(H)-bound double bond reductase from nicotiana tabacum
Analyse X-ray crystal structure of a NADP(H)-bound double bond reductase from nicotiana… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HFM
- Type
- protein
- Length
- 657 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Allyl alcohol dehydrogenase
- EC
- 1.3.1.74
- UniProt
- Q9SLN8
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Allyl alcohol dehydrogenase (EC 1.3.1.74) | protein | 333 | 32% helix, 29% strand | Q9SLN8 |
| B | Allyl alcohol dehydrogenase (EC 1.3.1.74) | protein | 324 | 31% helix, 30% strand | Q9SLN8 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.78 | 0.83 | 61 | NAP |
| 2 | 656 | 0.74 | 0.80 | 57 | NAP |
| 3 | 122 | 0.50 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1087 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4HFM · X-ray Crystal Structure of a NADP(H)-bound Double Bond Reductase from Nicotiana tabacum · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SLN8 · AlphaFold monomer V2.0 prediction for 2-alkenal reductase (NADP(+)-dependent) (Q9SLN8) · a predicted model of the same protein · 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 Q9SLN8
- Elsewhere: RCSB PDB 4HFM · PDBe 4HFM · UniProt Q9SLN8
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