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Crystal structure of a small-chain dehydrogenase

Analyse Crystal structure of a small-chain dehydrogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UCF
Type
protein
Length
776 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dehydrogenase
UniProt
Q7MBY8
Pockets
5 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 46% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADehydrogenaseprotein18748% helix, 22% strandQ7MBY8
BDehydrogenaseprotein19546% helix, 21% strandQ7MBY8
CDehydrogenaseprotein20846% helix, 21% strandQ7MBY8
DDehydrogenaseprotein18646% helix, 21% strandQ7MBY8

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111920.810.8292empty
23300.580.7749empty
32270.520.7638empty
42190.510.7634empty
51950.480.7534empty

Interfaces

6 interfaces between chains.

  • B–D · 1577 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 1566 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1280 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 1209 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 105 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3UCF · Crystal structure of a small-chain dehydrogenase · the same entry in another collection · chain A against A, TM-score 1.00

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