3F6X

c-src kinase domain in complex with small molecule inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 12
  • Norm. En. per Res.: -3.72
• 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	-18.8636	-61.6939	-82.7344	-163.292	59	6	0	3175	4	22	14
A-C	-13.4143	-61.8258	-94.5006	-169.7406	48	10	2	3905	3	14	15
B-C	-8.6404	-28.2978	-7.7016	-44.6398	12	1	0	528	1	8	9
B-D	0.0	-21.342	-69.0822	-90.4241	45	0	2	3276	0	17	13
C-D	-22.0435	-50.4192	-71.6556	-144.1183	60	3	0	3047	4	22	14

Interface residues

• A-B: ALA368B, ALA389A, ALA390A, ALA514B, ARG388A, ARG460A, ARG500B, ASN468A, ASN532A, ASP348A, ASP518B, CYS277A, GLN275A, GLN497B, GLN513B, GLN526B, GLU280A, GLU353A, GLU454A, GLU489B, GLU505B, GLU510B, GLU517B, GLU524B, GLY274A, GLY276A, GLY279A, GLY352A, GLY355A, GLY459A, GLY465A, LEU347A, LEU350A, LEU512B, LEU516B, LYS351A, LYS356A, LYS427A, LYS458A, MET466A, PHE278A, PHE515B, PHE520B, PRO425A, PRO462A, PRO464A, PRO488B, PRO525B, SER490B, SER522B, THR457A, THR508B, THR521B, THR523B, TRP428A, TYR511B, TYR519B, TYR527B, VAL461A
• A-C: ALA434C, ARG359A, ARG409C, ARG438C, ARG469C, ARG477C, ASN397A, ASN468C, ASP365A, ASP473C, GLN362A, GLN369A, GLN474C, GLU353A, GLU396A, GLU432C, GLU470C, GLU476C, GLU531A, GLY352A, GLY355A, GLY395A, GLY437C, GLY530A, ILE426C, LEU358A, LEU363A, LEU398A, LEU435C, LEU472C, LYS343A, LYS356A, LYS423C, LYS501C, MET354A, MET366A, PHE349A, PHE439C, PRO361A, PRO431C, PRO529A, TYR357A, TYR436C, TYR527A, VAL394A, VAL399A, VAL471C, VAL475C
• B-C: ARG469C, ARG500B, ARG506B, ASN468C, ASP502B, GLU470C, GLU504B, GLU505B, LYS442B, PRO507B, THR508B, VAL467C
• B-D: ALA433B, ALA434B, ARG359D, ARG385B, ARG409B, ARG438B, ARG469B, ARG477B, ASN397D, ASN468B, ASP473B, GLN362D, GLN474B, GLU353D, GLU396D, GLU432B, GLU470B, GLU476B, GLU531D, GLY355D, GLY395D, GLY437B, GLY530D, LEU358D, LEU398D, LEU435B, LEU472B, LYS343D, LYS356D, LYS501B, MET354D, MET366D, PHE349D, PHE439B, PRO361D, PRO431B, PRO529D, SER342D, THR440B, TYR357D, TYR436B, TYR527D, VAL394D, VAL399D, VAL471B
• C-D: ALA368D, ALA389C, ALA390C, ALA514D, ARG388C, ARG460C, ARG500D, ASN468C, ASN532C, ASP348C, ASP518D, CYS277C, GLN275C, GLN497D, GLN513D, GLN526D, GLU353C, GLU454C, GLU489D, GLU504D, GLU505D, GLU510D, GLU517D, GLU524D, GLY276C, GLY279C, GLY352C, GLY459C, GLY465C, LEU347C, LEU350C, LEU494D, LEU512D, LEU516D, LYS351C, LYS356C, LYS427C, LYS442D, LYS458C, MET354C, MET466C, PHE278C, PHE515D, PHE520D, PRO425C, PRO462C, PRO464C, PRO507D, PRO525D, SER490D, SER522D, THR457C, THR508D, THR521D, THR523D, TRP428C, TYR511D, TYR519D, VAL461C, VAL467C