GL1X · GenesisL1 explorer

Research workbench

Crystal structure of mammalian dimeric dihydrodiol dehydrogenase in complex with dihydroxyacetone

Analyse Crystal structure of mammalian dimeric dihydrodiol dehydrogenase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OHS
Type
protein
Length
331 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
EC
1.3.1.20, 1.1.1.179
UniProt
Q9TQS6
Ligands
2HA, SO4
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XTrans-1,2-dihydrobenzene-1,2-diol dehydrogenase (EC 1.3.1.20, 1.1.1.179)protein33137% helix, 24% strandQ9TQS6

Ligands and binding sites

  • 2HA · Dihydroxyacetone · ligand · chains X
  • SO4 · Sulfate ion · ion · 8 copies · chains X
  • BME · Beta-mercaptoethanol · additive · chains X

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13550.750.8641SO4, 2HA

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 3OHS · Crystal Structure of Mammalian Dimeric Dihydrodiol Dehydrogenase in complex with… · the same entry in another collection · chain X against X, TM-score 1.00
  • Q9TQS6 · AlphaFold monomer V2.0 prediction for trans-1,2-dihydrobenzene-1,2-diol dehydrogenase… · a predicted model of the same protein · chain X against A, TM-score 0.99

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.