3CS9

human abl kinase in complex with nilotinib

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 71
  • Norm. En. per Res.: -2.07
• 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	-34.2262	14.3789	-127.122	-146.9693	71	4	0	4807	2	22	20
A-D	0.0	12.9943	-31.7182	-18.7239	29	1	0	1425	0	17	17
B-C	0.0	31.264	-9.0959	22.1681	39	0	0	673	1	17	15

Interface residues

• A-B: ALA287A, ALA288A, ALA337B, ALA344B, ALA350B, ALA397A, ALA399A, ALA412A, ARG332B, ARG362A, ARG386A, ASN297B, ASN331B, ASN336B, ASN374B, ASN414A, GLN333B, GLN346B, GLN491B, GLN498B, GLU279A, GLU281A, GLU282A, GLU286A, GLU292A, GLU334B, GLU352B, GLU373B, GLU409A, GLU494B, GLU499B, GLY398A, HIS295B, HIS375B, HIS396A, HIS490B, ILE347B, ILE360A, LEU273A, LEU284A, LEU341B, LEU376B, LEU411A, LYS285A, LYS291A, LYS378B, LYS400A, LYS415A, MET496B, PHE283A, PHE401A, PHE416A, PHE493B, PHE497B, PRO296B, SER348B, SER349B, SER385A, SER410A, SER500B, THR345B, THR495B, TYR320B, TYR326B, TYR342B, TYR413A, VAL280A, VAL289A, VAL335B, VAL338B, VAL339B
• A-D: ALA395D, ALA474A, ARG457A, ARG460A, ARG473A, ASP391D, ASP444D, GLN252D, GLN477A, GLU459A, GLU462A, GLU466A, GLU470A, GLY390D, LEU387D, LEU445D, LEU471A, LYS404D, LYS467A, MET388D, MET458A, MET472A, THR389D, THR392D, THR394D, TYR393D, TYR456A, TYR469A, VAL468A
• B-C: ALA474C, ALA492C, ARG328B, ARG367B, ARG460C, ASN322B, ASP325B, ASP444B, ASP482C, GLN252B, GLN477C, GLU255B, GLU329B, GLU459C, GLU462C, GLU466C, GLU470C, GLU488C, GLY249B, GLY250B, GLY251B, GLY254B, GLY436B, GLY442B, HIS246B, ILE443B, LEU324B, LEU445B, LYS247B, LYS404B, LYS467C, MET437B, PRO439B, PRO484C, SER438B, SER481C, THR495C, TRP405B, TYR257B