MolNFT v1 · #14238 · protein
Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex with NAD and D-mannitol
1M2W · Mannitol dehydrogenase: “Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex with NAD and D-mannitol”. X-ray diffraction, 2 ligands (NAD, MTL), 5 pockets (best druggability 0.79). MolNFT v1 #14238 on GenesisL1: 3D…
- PDB
- 1M2W
- Type
- protein
- Length
- 984 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannitol dehydrogenase
- EC
- 1.1.1.67
- UniProt
- O08355
- Ligands
- NAD, MTL
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mannitol dehydrogenase (EC 1.1.1.67) | protein | 492 | 49% helix, 12% strand | O08355 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- MTL · D-mannitol · ligand · 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 | 1041 | 0.79 | 0.81 | 93 | NAD, MTL |
| 2 | 1189 | 0.76 | 0.79 | 93 | NAD, MTL |
| 3 | 309 | 0.62 | 0.79 | 67 | empty |
| 4 | 187 | 0.52 | 0.78 | 32 | empty |
| 5 | 166 | 0.50 | 0.78 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 816 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 1M2W · Pseudomonas fluorescens mannitol 2-dehydrogenase ternary complex with NAD and D-mannitol · 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 1M2W · PDBe 1M2W · UniProt O08355
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