2B7A

the structural basis of janus kinase 2 inhibition by a potent and specific pan-janus kinase inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 63
  • Norm. En. per Res.: -2.0236
• 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	-16.2229	14.4686	-125.735	-127.4893	63	9	0	4878	3	32	28

Interface residues

• A-B: ALA1131A, ARG1090A, ARG1113B, ARG1117B, ARG1122B, ARG947A, ASN1085B, ASN1107B, ASN1108B, ASN1109B, ASN1111B, ASP1092A, ASP1096A, ASP1118B, ASP949A, CYS1094A, CYS1105B, GLN1112B, GLN1125B, GLN1129A, GLN942A, GLU1006B, GLU1028B, GLU1046A, GLU1052A, GLU1097A, GLU1104B, GLU946A, GLY1093A, GLY1132A, HIS944A, HIS950A, ILE1051A, ILE1098A, ILE1101B, ILE1126A, ILE948A, ILE951A, LEU1047A, LEU1119B, LEU1121B, LEU941A, LEU953A, LYS1030B, LYS1055A, LYS945A, LYS952A, MET1100A, MET1100B, MET1130A, PHE1048A, PRO1091A, PRO1095A, PRO1114B, SER1115B, THR1049A, THR1103B, THR969B, TRP1106B, TYR1045A, TYR1050A, VAL1037B, VAL1110B