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Mannitol-2-dehydrogenase from aspergillus fumigatus

Analyse Mannitol-2-dehydrogenase from aspergillus fumigatus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMannitol 2-dehydrogenase (EC 1.1.1.67)protein50152% helix, 13% strandQ4WQY4
BMannitol 2-dehydrogenase (EC 1.1.1.67)protein50353% helix, 13% strandQ4WQY4

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16440.710.7858empty
25030.620.7560empty
33230.540.7541empty
4760.380.7817empty
51170.380.7423empty

Interfaces

1 interface between chains.

  • A–B · 172 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7RK4 · Mannitol-2-dehydrogenase from Aspergillus fumigatus · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4WQY4 · AlphaFold monomer V2.0 prediction for mannitol 2-dehydrogenase (Q4WQY4) · a predicted model of the same protein · chain B against A, TM-score 0.90

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