3F6D

crystal structure of a genetically modified delta class gst (adgstd4- 4) from anopheles dirus, f123a, in complex with s-hexyl glutathione

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 138
  • Norm. En. per Res.: -3.6207
• 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	-38.1211	-70.0798	-391.46	-499.6609	138	12	16	15743	5	47	35

Interface residues

• A-B: ALA108A, ALA108B, ALA115A, ALA115B, ALA141A, ALA141B, ALA68A, ALA68B, ALA79A, ALA79B, ALA97A, ALA97B, ARG102A, ARG102B, ARG113A, ARG113B, ARG134A, ARG134B, ARG136B, ARG67A, ARG67B, ARG94A, ARG94B, ARG95A, ARG95B, ARG96A, ARG96B, ASN47A, ASN47B, ASP106A, ASP106B, ASP57A, ASP57B, ASP59A, ASP59B, ASP92A, ASP92B, CYS51A, CYS51B, GLN101A, GLN101B, GLN112A, GLN112B, GLN140A, GLN140B, GLN49A, GLN49B, GLN70A, GLN70B, GLU116A, GLU116B, GLU143A, GLU143B, GLU150B, GLU58A, GLU65A, GLU65B, GLU75A, GLU75B, GLY60A, HIS100A, HIS100B, HIS38A, HIS38B, HIS50A, HIS50B, ILE163A, ILE163B, ILE69A, ILE69B, ILE71A, ILE71B, LEU103A, LEU103B, LEU110A, LEU110B, LEU145A, LEU145B, LEU44A, LEU44B, LEU55A, LEU63A, LEU63B, LEU73A, LEU73B, LYS45A, LYS76A, LYS76B, MET39A, MET39B, PHE104A, PHE104B, PHE105A, PHE105B, PHE144A, PHE144B, PHE148A, PHE148B, PHE61A, PHE61B, PRO120A, PRO48A, PRO48B, PRO90A, PRO90B, PRO93A, PRO93B, SER167A, SER167B, SER66A, SER66B, SER91A, SER91B, THR147A, THR147B, TRP64A, TRP64B, TYR111A, TYR111B, TYR119B, TYR72A, TYR72B, TYR77A, TYR77B, TYR89A, TYR89B, VAL107A, VAL107B, VAL109A, VAL109B, VAL62A, VAL62B, VAL74A, VAL74B, VAL98A, VAL98B, VAL99A, VAL99B