CRYSTAL STRUCTURE OF MU CLASS GLUTATHIONE S-TRANSFERASE (GST COMPLEX WITH GLUTATHIONE AND 6-(7-NITRO-2,1,3-BENZOXADIAZOLY LTHIO)HEXANOL (NBDHEX)
PDB id Source Resolution
3GUR 2.5 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
EDO Invalid            
GTT Valid submit data   launch gocavviewer-lite   308.331
C10 H18 N3 O6 S
 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)[NH3+]
BYG Valid submit data   launch gocavviewer-lite   604.654
C22 H32 N6 O10 S2
 C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]

STRUCTURAL BASIS FOR THE BINDING OF THE ANTICANCER 6-(7-NITRO-2,1,3-BENZOXADIAZOL-4-YLTHIO)HEXANOL TO GLUTATHIONE S-TRANSFERASES CANCER RES. V. 69 8025 2009

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90% Homology Family

The Class containing this family consists of a total of 44 families.
Leader:    2C4J
HUMAN GLUTATHIONE-S-TRANSFERASE M2-2 T210S MUTANT
IN COMPLEX WITH GLUTATHIONE-STYRENE OXIDE CONJUGATE
PDB id Binding data Representative ligand
2C4J   GSO
1HNA   GDN
1XW5   GSH
1YKC   GDS
2AB6   GSM
3GUR   GTT