3PYY

discovery and characterization of a cell-permeable, small-molecule c- abl kinase activator that binds to the myristoyl binding site

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -2.5468
• 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	-36.0971	39.3607	-257.942	-254.6784	100	6	2	10239	0	34	31

Interface residues

• A-B: ALA356B, ALA506B, ALA511B, ARG479B, ASN316A, ASN350A, ASN355B, ASN393A, ASP523B, CYS349A, CYS483B, GLN319A, GLN352A, GLN365A, GLN510A, GLN510B, GLN517A, GLN517B, GLU277A, GLU335A, GLU348A, GLU353A, GLU371B, GLU392A, GLU485B, GLU489B, GLU507B, GLU513A, GLU513B, GLU518B, GLU524B, GLU526B, GLU528B, GLY278A, GLY340A, GLY391A, GLY482B, HIS265A, HIS314A, HIS394A, HIS509A, HIS509B, ILE508B, ILE521B, LEU285A, LEU317A, LEU321A, LEU360A, LEU360B, LEU389A, LEU395A, LEU490B, LEU529B, LYS264A, LYS281A, LYS282A, LYS397A, LYS486B, LYS527B, MET337A, MET362A, MET515B, PHE336A, PHE505B, PHE512A, PHE512B, PHE516A, PHE516B, PRO315A, PRO484B, SER284A, SER367A, SER367B, SER368A, SER368B, SER519B, SER520B, SER522B, THR262A, THR286A, THR338A, THR364A, THR364B, THR514A, THR514B, TRP280A, TYR283A, TYR339A, TYR345A, TYR361A, TYR488B, VAL279A, VAL287A, VAL354A, VAL357A, VAL357B, VAL390A, VAL396A, VAL487B, VAL525B