Research workbench
Crystal structure of NADH-dependent butanol dehydrogenase a (TM0820) from thermotoga maritima at 1.78 a resolution
Analyse Crystal structure of NADH-dependent butanol dehydrogenase a (TM0820) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VLJ
- Type
- protein
- Length
- 798 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADH-dependent butanol dehydrogenase
- EC
- 1.1.1.-
- UniProt
- Q9WZS7
- Ligands
- NAP, FE
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADH-dependent butanol dehydrogenase (EC 1.1.1.-) | protein | 398 | 56% helix, 12% strand | Q9WZS7 |
| B | NADH-dependent butanol dehydrogenase (EC 1.1.1.-) | protein | 400 | 55% helix, 11% strand | Q9WZS7 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.78 | 0.81 | 93 | NAP |
| 2 | 787 | 0.77 | 0.81 | 92 | NAP |
| 3 | 73 | 0.74 | 0.97 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1626 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 1VLJ · Crystal structure of NADH-dependent butanol dehydrogenase A (TM0820) from Thermotoga… · the same entry in another collection · 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 Q9WZS7
- Elsewhere: RCSB PDB 1VLJ · PDBe 1VLJ · UniProt Q9WZS7
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