Structure of PDB 6gcc Chain B Binding Site BS01

Receptor Information

>6gcc Chain B (length=290) Species: 5325 (Trametes versicolor)

TFRRFIEKGGEFEPEKGRYHLYVAYSSPWATRTLIVRKIKGLEEIVGVTI
VSPLFSAHGWPFGDVSPFPGAEADPFYNAQYVRDLYLRADPKYEGRFTVP
VLWDKKTETVVNNESSEIIRIFNTAFNEFLPADKAAIHLYPEALKSEIDE
INEWVYDTVNNGVYKAGFATTQQAYEAAVIPLFESLDRLEKILTGKDYLV
GDQLTEADVRLFVTIIRFDPAYVGHFKCNLRTIRDGYPAIHLWLRKLYWN
NSAFSETCKFDHIKASYYAQKNVNPTLVVPLGPIPNILPL

Ligand information

• Ligand ID: TUJ
• InChI: InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4-,5-,6-/m1/s1
• InChIKey: FZVPFIKBDVJAIY-QZABAPFNSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
  CACTVS 3.385: OC[CH]1O[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
  ACDLabs 12.01: OCC1OC(C(C(C1OS(O)(=O)=O)OS(=O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O
  OpenEye OEToolkits 2.0.7: C(C1C(C(C(C(O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
  CACTVS 3.385: OC[C@H]1O[C@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O
• Formula: C6 H12 O18 S4
• Name: 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose
• PDB chain: 6gcc Chain D Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gcc Trametes versicolor glutathione transferase Xi 3, a dual Cys-GST with catalytic specificities of both Xi and Omega classes.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): F84 A86 R112 R125 F126
• Binding residue (residue number reindexed from 1): F55 A57 R83 R96 F97
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004364 glutathione transferase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6gcc, PDBe:6gcc, PDBj:6gcc
• PDBsum: 6gcc
• PubMed: 30112765
• UniProt: A0A3F2YM29