2UW4

structure of pka-pkb chimera complexed with 2-(4-(5-methyl- 1h-pyrazol-4-yl)-phenyl)-ethylamine

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 92
  • Norm. En. per Res.: -5.66
• 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-I	-104.3741	-137.0823	-279.267	-520.7233	92	16	3	10132	11	33	22

Interface residues

• A-I: ALA12I, ALA21I, ALA233A, ALA240A, ALA8I, ARG133A, ARG137A, ARG15I, ARG165A, ARG18I, ARG19I, ARG256A, ASN171A, ASN20I, ASN326A, ASP166A, ASP184A, ASP241A, ASP24I, ASP328A, ASP329A, ASP9I, CYS199A, GLN242A, GLN245A, GLN84A, GLU127A, GLU170A, GLU203A, GLU230A, GLY126A, GLY136A, GLY14I, GLY17I, GLY200A, GLY234A, GLY50A, GLY52A, HIS131A, HIS23I, HIS260A, HIS87A, ILE11I, ILE135A, ILE209A, ILE210A, ILE22I, ILE244A, ILE246A, LEU132A, LEU167A, LEU198A, LEU205A, LEU227A, LEU49A, LEU82A, LYS168A, LYS249A, LYS81A, LYS83A, MET128A, MET173A, PHE10I, PHE129A, PHE187A, PHE238A, PHE239A, PHE257A, PHE327A, PRO169A, PRO202A, PRO236A, PRO237A, PRO243A, PRO258A, SER130A, SER13I, SER259A, SER53A, THR16I, THR201A, THR51A, THR5I, THR6I, TRP196A, TYR204A, TYR229A, TYR235A, TYR247A, TYR330A, TYR7I, VAL226A