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Crystal structure of glutathione transferase omega 2C from trametes versicolor in complex with oxyresveratrol

Analyse Crystal structure of glutathione transferase omega 2C from trametes versicolor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SR9
Type
protein
Length
468 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
R7S7J5
Ligands
GSH, EZE
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein23556% helix, 8% strandR7S7J5
BUncharacterized proteinprotein23353% helix, 9% strandR7S7J5

Ligands and binding sites

  • GSH · Glutathione · ligand · 2 copies · chains A, B
  • EZE · trans-oxyresveratrol · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16110.670.7758GSH
22390.540.7729EZE

Interfaces

1 interface between chains.

  • A–B · 283 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 6SR9 · Crystal structure of glutathione transferase Omega 2C from Trametes versicolor in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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