MolNFT v1 · #186624 · protein
Mannitol-2-dehydrogenase from aspergillus fumigatus
7RK4 · Mannitol 2-dehydrogenase: “Mannitol-2-dehydrogenase from aspergillus fumigatus”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #186624 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RK4
- Type
- protein
- Length
- 1,004 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannitol 2-dehydrogenase
- EC
- 1.1.1.67
- UniProt
- Q4WQY4
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mannitol 2-dehydrogenase (EC 1.1.1.67) | protein | 501 | 52% helix, 13% strand | Q4WQY4 |
| B | Mannitol 2-dehydrogenase (EC 1.1.1.67) | protein | 503 | 53% helix, 13% strand | Q4WQY4 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 644 | 0.71 | 0.78 | 58 | empty |
| 2 | 503 | 0.62 | 0.75 | 60 | empty |
| 3 | 323 | 0.54 | 0.75 | 41 | empty |
| 4 | 76 | 0.38 | 0.78 | 17 | empty |
| 5 | 117 | 0.38 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 172 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
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 Q4WQY4
- Elsewhere: RCSB PDB 7RK4 · PDBe 7RK4 · UniProt Q4WQY4
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