3C4E

pim-1 kinase domain in complex with 3-aminophenyl-7- azaindole

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 48
  • Norm. En. per Res.: -2.6017
• Hub Node: A(3)

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	-45.7808	-79.0994	-124.8802	48	6	0	3278	4	14	20
A-C	0.0	0.0	-0.0394	-0.0394	5	0	0	11	0	0	1
A-D	0.0	0.0	-0.0069	-0.0069	3	0	0	5	0	0	1
B-C	-7.9315	-18.6858	-165.928	-192.5453	75	4	1	6102	5	21	30
C-D	-6.8978	-10.0232	-168.174	-185.095	75	3	1	6043	5	21	30

Interface residues

• A-B: ARG112A, ARG217B, ARG221B, ARG274B, ARG278B, ARG73A, ASP114A, ASP195B, ASP277B, GLU283B, GLU35A, GLU70A, GLY220B, GLY41A, GLY45A, GLY47A, GLY48A, GLY50A, HIS219B, HIS68A, ILE66A, LEU192B, LEU193B, LEU43A, LEU44A, LYS194B, LYS67A, LYS71A, PHE116A, PHE49A, PRO275B, PRO42A, SER115A, SER222B, SER276B, SER46A, SER51A, THR196B, THR199B, THR280B, TYR198B, TYR218B, TYR53A, VAL117A, VAL197B, VAL40A, VAL52A, VAL69A
• A-C: ASP292C, GLU262C, PRO288C, SER36A, VAL58A
• A-D: ARG136D, GLU135D, PRO33A
• B-C: ALA138C, ALA154B, ARG105B, ARG145B, ARG156B, ARG179B, ARG250C, ARG256C, ARG258C, ARG268C, ASN160B, ASN286B, ASP176B, ASP239C, ASP292B, CYS161B, CYS237C, CYS263C, GLN150B, GLN252C, GLN257C, GLN264C, GLN285B, GLN291B, GLN297B, GLU121B, GLU141C, GLU153B, GLU181B, GLU243C, GLU246C, GLU247C, GLU262C, GLU282B, GLU283B, GLU298B, GLU301B, GLY102B, GLY180B, GLY99B, HIS157B, HIS159B, HIS244C, HIS265C, HIS287B, ILE240C, ILE249C, ILE284B, LEU152B, LEU182B, LEU294B, LEU295B, LYS183B, MET290B, PHE100B, PHE147B, PHE242C, PHE254C, PHE255C, PHE281B, PRO123B, PRO241C, PRO296B, SER101B, SER146B, SER260C, SER261C, THR280B, THR299B, TRP149B, TYR233C, VAL151B, VAL253C, VAL259C, VAL293B
• C-D: ALA138D, ALA154C, ALA272D, ARG145C, ARG156C, ARG179C, ARG250D, ARG256D, ARG258D, ARG268D, ASN160C, ASN286C, ASP176C, ASP239D, ASP292C, CYS161C, CYS237D, CYS263D, GLN150C, GLN252D, GLN257D, GLN264D, GLN285C, GLN291C, GLN297C, GLU121C, GLU141D, GLU153C, GLU181C, GLU243D, GLU246D, GLU247D, GLU262D, GLU282C, GLU283C, GLU298C, GLU301C, GLY102C, GLY180C, GLY251D, GLY99C, HIS157C, HIS159C, HIS244D, HIS265D, HIS287C, ILE240D, ILE284C, LEU152C, LEU182C, LEU294C, LEU295C, LYS183C, MET290C, PHE100C, PHE147C, PHE242D, PHE254D, PHE255D, PHE281C, PRO123C, PRO241D, PRO296C, SER101C, SER146C, SER260D, SER261D, THR280C, THR299C, TRP149C, TYR233D, VAL151C, VAL253D, VAL259D, VAL293C