3GST

structure of the xenobiotic substrate binding site of a glutathione s-transferase as revealed by x-ray crystallographic analysis of product complexes with the diastereomers of 9-(s-glutathionyl)-10-hydroxy-9, 10- dihydrophenanthrene

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -4.7103
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-21.1257	-204.4497	-353.796	-579.3714	123	11	14	13568	8	72	56

Interface residues

• A-B: ALA74A, ALA74B, ALA96A, ALA96B, ARG144A, ARG144B, ARG67A, ARG67B, ARG77A, ARG77B, ARG81A, ARG81B, ARG93A, ARG93B, ARG95A, ARG95B, ASN101A, ASN101B, ASN106A, ASN106B, ASN58A, ASN58B, ASN73A, ASN73B, ASP105A, ASP105B, ASP55A, ASP55B, ASP64A, ASP64B, ASP97A, ASP97B, CYS86A, GLN102A, GLN102B, GLN109A, GLN109B, GLN71A, GLN71B, GLU100A, GLU100B, GLU132A, GLU132B, GLU139A, GLU139B, GLU90A, GLU90B, GLU91A, GLU91B, GLU92A, GLU92B, ILE111A, ILE69A, ILE69B, ILE75A, ILE75B, ILE94A, ILE94B, ILE98A, ILE98B, LEU12A, LEU12B, LEU136A, LEU136B, LEU141A, LEU141B, LEU163A, LEU163B, LEU180A, LEU180B, LEU54A, LEU54B, LEU62A, LEU79A, LEU79B, LYS133A, LYS133B, LYS135A, LYS135B, LYS49A, LYS49B, LYS68A, LYS68B, LYS82A, LYS82B, MET104A, MET104B, MET108A, MET108B, MET112A, MET112B, MET134A, MET134B, MET76A, MET76B, PHE140A, PHE140B, PHE147A, PHE147B, PHE50A, PHE50B, PHE56A, PHE56B, PRO57A, PRO57B, SER138A, SER138B, SER72A, SER72B, THR70A, THR70B, THR89A, THR89B, TYR137A, TYR137B, TYR154A, TYR154B, TYR78A, TYR78B, VAL103A, VAL103B, VAL99A, VAL99B