MolNFT v1 · #13657 · protein
Crystal structure of mannitol dehydrogenase in complex with NAD
1LJ8: “Crystal structure of mannitol dehydrogenase in complex with NAD”. X-ray diffraction, 1 ligand (NAD), 2 pockets (best druggability 0.77). MolNFT v1 #13657 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1LJ8
- Type
- protein
- Length
- 492 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannitol dehydrogenase
- EC
- 1.1.1.67
- UniProt
- O08355
- Ligands
- NAD
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannitol dehydrogenase (EC 1.1.1.67) | protein | 492 | 50% helix, 12% strand | O08355 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 908 | 0.77 | 0.80 | 70 | NAD |
| 2 | 209 | 0.52 | 0.77 | 33 | empty |
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 1LJ8 · Crystal structure of mannitol dehydrogenase in complex with NAD · 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 O08355
- Elsewhere: RCSB PDB 1LJ8 · PDBe 1LJ8 · UniProt O08355
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