1XH9

crystal structures of protein kinase b selective inhibitors in complex with protein kinase a and mutants

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 95
  • Norm. En. per Res.: -5.7792
• 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	-110.8591	-150.2493	-287.912	-549.0204	95	13	5	10252	11	37	24

Interface residues

• A-B: ALA12B, ALA21B, ALA233A, ALA240A, ALA8B, ARG133A, ARG134A, ARG137A, ARG15B, ARG165A, ARG18B, ARG19B, ARG256A, ASN171A, ASN20B, ASN326A, ASP166A, ASP184A, ASP241A, ASP24B, ASP328A, ASP329A, ASP9B, CYS199A, GLN242A, GLN245A, GLU127A, GLU170A, GLU203A, GLU230A, GLU84A, GLU86A, GLY126A, GLY136A, GLY14B, GLY17B, GLY186A, GLY200A, GLY234A, GLY50A, GLY52A, HIS131A, HIS23B, HIS260A, HIS87A, ILE11B, ILE135A, ILE209A, ILE210A, ILE22B, ILE244A, ILE246A, LEU132A, LEU167A, LEU187A, LEU198A, LEU205A, LEU227A, LEU49A, LEU82A, LYS168A, LYS249A, LYS83A, MET128A, MET173A, PHE10B, PHE129A, PHE238A, PHE239A, PHE257A, PHE327A, PHE54A, PRO169A, PRO202A, PRO236A, PRO237A, PRO243A, PRO258A, SER130A, SER13B, SER53A, THR16B, THR201A, THR51A, THR5B, THR6B, TRP196A, TYR204A, TYR229A, TYR235A, TYR247A, TYR330A, TYR7B, VAL226A, VAL79A