3MSS

abl kinase in complex with imatinib and fragment (frag2) in the myristate site

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 15
  • Norm. En. per Res.: -1.4205
• 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	0.0	-12.7743	-11.2389	-24.0132	23	0	0	560	1	14	14
A-C	0.0	37.0661	-72.2862	-35.2201	32	3	0	2420	0	12	9
B-D	-10.9648	0.0	-10.3428	-21.3076	15	1	0	311	0	4	3
C-D	0.0	-14.212	-14.5325	-28.7445	28	0	0	831	2	12	9

Interface residues

• A-B: ARG386A, ARG460B, ARG473B, ASP391A, ASP455B, CYS464B, GLN252A, GLU462B, GLU466B, GLU470B, GLY249A, GLY250A, GLY251A, GLY390A, GLY463B, LEU387A, LYS400A, LYS467B, MET388A, PRO465B, THR392A, THR394A, TYR469B
• A-C: ARG328A, ARG328C, ARG332A, ARG332C, ASN331A, ASN331C, ASP325A, ASP325C, CYS330A, CYS330C, GLN333A, GLN333C, GLU329A, GLU329C, GLU334A, GLU334C, GLU462A, GLU462C, GLY436A, GLY436C, LEU324A, LEU324C, LEU327A, LEU327C, MET437A, MET437C, TYR326A, TYR326C, TYR435A, TYR435C, VAL335A, VAL335C
• B-D: ASN374B, ASN374D, GLU373B, GLU373D, LEU266B, LEU266D, LYS262B, LYS262D, LYS263B, LYS263D, SER265B, SER265D, TYR264B, TYR264D, TYR342D
• C-D: ARG239D, ARG307D, GLN491C, GLN498C, GLU308D, GLU494C, HIS246D, HIS295C, HIS490C, ILE242D, LEU273D, LYS245D, LYS247D, LYS262D, LYS294C, LYS356C, LYS357C, MET244D, PHE497C, PRO296C, PRO309D, PRO310D, THR240D, THR243D, THR495C, TYR257D, TYR353C, VAL260D