3SQP

structure of human glutathione reductase complexed with pyocyanin, an agent with antimalarial activity

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 294
  • Norm. En. per Res.: -1.5653
• 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	-175.8139	10.4868	-294.867	-460.1941	294	70	36	39830	8	62	78

Interface residues

• A-B: ALA105A, ALA105B, ALA208A, ALA208B, ALA336A, ALA336B, ALA342A, ALA342B, ALA344A, ALA344B, ALA345A, ALA345B, ALA409A, ALA409B, ALA448A, ALA448B, ALA450A, ALA450B, ALA455A, ALA455B, ALA458A, ALA458B, ALA465A, ALA465B, ALA73A, ALA73B, ALA83A, ALA83B, ARG103A, ARG103B, ARG109A, ARG109B, ARG347A, ARG347B, ARG37A, ARG37B, ARG38A, ARG38B, ARG413A, ARG413B, ARG478A, ARG478B, ARG97A, ARG97B, ASN365A, ASN365B, ASN366A, ASN366B, ASN462A, ASN462B, ASN71A, ASN71B, ASN95A, ASN95B, ASP104A, ASP104B, ASP363A, ASP363B, ASP441A, ASP441B, ASP459A, ASP459B, ASP461A, ASP461B, ASP81A, ASP81B, ASP84A, ASP84B, CYS440A, CYS440B, CYS58A, CYS58B, CYS63A, CYS63B, CYS90A, CYS90B, GLN445A, GLN445B, GLU101A, GLU101B, GLU201A, GLU201B, GLU41A, GLU41B, GLU442A, GLU442B, GLU472A, GLU472B, GLU473A, GLU473B, GLU77A, GLU77B, GLU91A, GLU91B, GLY210A, GLY210B, GLY378A, GLY378B, GLY437A, GLY437B, GLY439A, GLY439B, GLY446A, GLY446B, GLY454A, GLY454B, GLY62A, GLY62B, GLY86A, GLY86B, GLY92A, GLY92B, HIS351A, HIS351B, HIS408A, HIS408B, HIS467A, HIS467B, HIS75A, HIS75B, HIS80A, HIS80B, HIS82A, HIS82B, ILE343A, ILE343B, ILE367A, ILE367B, ILE377A, ILE377B, ILE433A, ILE433B, ILE466A, ILE466B, ILE99A, ILE99B, LEU110A, LEU110B, LEU209A, LEU209B, LEU338A, LEU338B, LEU362A, LEU362B, LEU42A, LEU42B, LEU438A, LEU438B, LEU444A, LEU444B, LEU474A, LEU474B, LYS100A, LYS100B, LYS102A, LYS102B, LYS348A, LYS348B, LYS412A, LYS412B, LYS414A, LYS414B, LYS452A, LYS452B, LYS457A, LYS457B, LYS66A, LYS66B, LYS67A, LYS67B, LYS93A, LYS93B, MET406A, MET406B, MET419A, MET419B, MET421A, MET421B, MET435A, MET435B, MET443A, MET443B, MET453A, MET453B, MET69A, MET69B, MET79A, MET79B, PHE372A, PHE372B, PHE403A, PHE403B, PHE447A, PHE447B, PHE460A, PHE460B, PHE78A, PHE78B, PHE87A, PHE87B, PHE94A, PHE94B, PRO340A, PRO340B, PRO368A, PRO368B, PRO376A, PRO376B, PRO405A, PRO405B, PRO468A, PRO468B, PRO65A, PRO65B, PRO88A, PRO88B, SER30A, SER30B, SER470A, SER470B, SER471A, SER471B, SER76A, SER76B, SER89A, SER89B, THR339A, THR339B, THR369A, THR369B, THR379A, THR379B, THR404A, THR404B, THR411A, THR411B, THR456A, THR456B, THR463A, THR463B, THR469A, THR469B, THR476A, THR476B, THR72A, THR72B, TRP70A, TRP70B, TRP96A, TRP96B, TYR106A, TYR106B, TYR114A, TYR114B, TYR197A, TYR197B, TYR364A, TYR364B, TYR407A, TYR407B, TYR85A, TYR85B, VAL107A, VAL107B, VAL341A, VAL341B, VAL370A, VAL370B, VAL371A, VAL371B, VAL380A, VAL380B, VAL410A, VAL410B, VAL430A, VAL430B, VAL449A, VAL449B, VAL451A, VAL451B, VAL464A, VAL464B, VAL475A, VAL475B, VAL59A, VAL59B, VAL64A, VAL64B, VAL68A, VAL68B, VAL74A, VAL74B, VAL98A, VAL98B