3RPP

crystal structure of human kappa class glutathione transferase in apo form

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 125
  • Norm. En. per Res.: -3.3277
• Hub Node: A(2)

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	-9.8982	8.0096	-81.2509	-83.1395	49	5	0	3429	0	8	9
A-C	-7.0709	-11.689	-83.2963	-102.0562	33	2	1	3011	0	3	5
B-C	-58.8521	-67.8304	-289.276	-415.9585	125	15	6	10876	10	34	47

Interface residues

• A-B: ALA174B, ALA175B, ALA180B, ALA188A, ARG177B, ARG40A, ARG6A, ASN34A, ASN36A, ASP191A, CYS176B, GLN193A, GLN38A, GLU170B, GLU173B, GLU212A, GLU9A, GLY179B, GLY192A, GLY211A, GLY2A, GLY46B, HIS189A, ILE35A, ILE44B, ILE47B, LEU168B, LEU210A, LEU43B, LEU4A, LYS169B, LYS49B, MET196B, MET48B, PHE181B, PRO3A, PRO5A, SER42B, THR171B, THR172B, THR194A, THR45B, THR7A, TRP33A, TYR178A, TYR178B, VAL187A, VAL190A, VAL8A
• A-C: ALA207A, ALA67C, ARG61C, ARG6A, ASN68C, ASP191A, GLN193A, GLU204A, GLU212A, GLY192A, GLY211A, GLY57C, GLY63C, HIS195A, HIS208A, LEU197A, LEU205A, LEU206A, LEU209A, LEU210A, LEU4A, LEU58C, LEU59C, LEU64C, LYS213A, LYS62C, PRO3A, PRO55C, PRO56C, PRO60C, THR194A, TYR65C, VAL190A
• B-C: ALA175B, ALA175C, ALA180B, ALA180C, ALA188B, ALA188C, ALA207B, ALA207C, ARG177B, ARG177C, ARG202B, ARG202C, ARG61B, ARG61C, ARG74B, ARG74C, ASN53B, ASN68B, ASN68C, ASP201B, ASP201C, ASP69B, ASP69C, CYS176B, CYS176C, GLN193B, GLN193C, GLN78B, GLN78C, GLU204B, GLU204C, GLY179B, GLY179C, GLY182B, GLY182C, GLY199B, GLY199C, GLY216B, GLY216C, GLY46B, GLY46C, GLY57C, GLY63B, GLY63C, HIS195B, HIS195C, HIS208B, HIS208C, HIS75B, HIS75C, HIS76B, HIS76C, ILE185B, ILE185C, ILE218B, ILE218C, ILE44B, ILE44C, ILE47B, ILE47C, LEU197B, LEU197C, LEU205B, LEU205C, LEU206B, LEU206C, LEU209B, LEU209C, LEU21B, LEU21C, LEU64B, LEU64C, LEU70B, LEU70C, LEU72B, LEU72C, LEU73B, LEU73C, LEU77B, LEU77C, LYS49B, LYS49C, LYS54C, LYS62B, LYS62C, LYS71B, LYS71C, MET196B, MET196C, MET203B, MET203C, MET215B, MET215C, MET48B, MET48C, MET66B, MET66C, PHE181B, PHE181C, PHE198B, PHE198C, PRO184C, PRO217B, PRO217C, PRO55B, PRO55C, PRO56B, PRO56C, PRO60B, PRO60C, SER200B, SER200C, THR186B, THR186C, THR194B, THR194C, TRP214B, TRP214C, TYR178B, TYR178C, TYR18B, TYR18C, TYR29C, TYR65B, TYR65C