3LQ7

crystal structure of glutathione s-transferase from agrobacterium tumefaciens str. c58

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -3.4887
• 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	-28.1121	-53.6437	-446.307	-528.0628	158	13	22	18872	2	33	39
B-C	-13.6428	-61.2146	-144.928	-219.7853	63	6	2	5748	7	36	32

Interface residues

• A-B: ALA109A, ALA109B, ALA113A, ALA113B, ALA117A, ALA117B, ALA118A, ALA118B, ALA144A, ALA144B, ALA147A, ALA162A, ALA162B, ALA88A, ALA88B, ARG107A, ARG107B, ARG108A, ARG108B, ARG110A, ARG110B, ARG145A, ARG145B, ARG148A, ARG148B, ARG156A, ARG156B, ARG167A, ARG167B, ARG34A, ARG34B, ASN120A, ASN120B, ASN128A, ASN128B, ASP104A, ASP104B, ASP158A, ASP158B, ASP80A, ASP80B, GLN105A, GLN105B, GLN152A, GLN152B, GLN68A, GLN68B, GLN72A, GLN72B, GLN78A, GLN78B, GLN95A, GLN95B, GLU123A, GLU123B, GLU136A, GLU136B, GLU139A, GLU139B, GLU143A, GLU159A, GLU159B, GLU171A, GLU171B, GLU85A, GLU85B, GLY71A, GLY71B, GLY79A, GLY79B, GLY87A, GLY87B, HIS142A, HIS142B, HIS92A, HIS92B, HIS96A, HIS96B, ILE122A, ILE122B, ILE82A, ILE82B, ILE89A, ILE89B, LEU101B, LEU106A, LEU106B, LEU119A, LEU119B, LEU127A, LEU127B, LEU157A, LEU157B, LEU160A, LEU160B, LEU164A, LEU164B, LEU170A, LEU170B, LEU180A, LEU180B, LEU200A, LEU81A, LEU81B, LEU83A, LEU83B, LYS14B, LYS155A, LYS155B, MET115A, MET115B, MET181A, MET181B, MET91A, MET91B, PHE116A, PHE116B, PHE135A, PHE135B, PHE70A, PHE70B, PHE84A, PHE84B, PRO124A, PRO124B, PRO140A, PRO140B, PRO69A, PRO69B, SER125A, SER125B, SER161A, SER161B, SER75B, SER86A, SER86B, THR111A, THR111B, THR121A, THR121B, THR131A, THR131B, THR149A, THR149B, TRP114A, TRP114B, TRP141A, TRP141B, TRP163A, TRP163B, TYR76A, TYR76B, VAL112A, VAL112B, VAL132A, VAL132B, VAL90A, VAL90B
• B-C: ALA162B, ALA202B, ALA209B, ARG137C, ARG167B, ARG186C, ARG187C, ARG206B, ARG210B, ARG24C, ARG30C, ASN138C, ASN199B, ASP158B, ASP166B, ASP196B, ASP27C, GLU136C, GLU139C, GLU151B, GLU159B, GLU168B, GLU189C, GLU205B, GLU23C, GLY165B, GLY172B, GLY198B, GLY207B, GLY28C, GLY29C, HIS142C, LEU134C, LEU154B, LEU157B, LEU160B, LEU164B, LEU188C, LEU200B, LEU201B, LEU32C, LYS155B, LYS208B, LYS214B, PHE135C, PHE174B, PHE217C, PRO140C, PRO26C, SER161B, SER190C, SER191C, SER25C, THR130C, THR131C, TRP133C, TRP163B, TRP169B, TYR197B, TYR203B, VAL132C, VAL204B, VAL223C