3SXR

crystal structure of bmx non-receptor tyrosine kinase complex with dasatinib

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 99
  • Norm. En. per Res.: -3.3086
• 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	-45.671	-57.1735	-224.707	-327.5515	99	6	4	9081	11	36	34

Interface residues

• A-B: ALA461A, ARG535A, ARG535B, ARG559A, ARG559B, ASP455A, ASP455B, ASP564B, CYS479A, CYS479B, GLN459A, GLN459B, GLN462A, GLN462B, GLN565A, GLN565B, GLU411A, GLU411B, GLU454A, GLU454B, GLU456A, GLU456B, GLU460A, GLU460B, GLU482A, GLU482B, GLY408A, GLY408B, GLY556A, GLY556B, GLY571A, GLY571B, HIS409A, HIS409B, HIS585B, ILE485A, ILE485B, LEU562A, LEU562B, LYS466A, LYS466B, LYS481A, LYS481B, LYS573A, LYS573B, LYS588A, LYS588B, MET410A, MET410B, MET452A, MET452B, MET465A, MET557A, MET557B, PHE457A, PHE457B, PHE458A, PHE458B, PHE532A, PHE532B, PHE574A, PHE574B, PHE587A, PHE587B, SER451A, SER451B, SER453A, SER453B, SER480A, SER480B, SER568A, SER568B, SER569A, SER569B, SER590B, THR463A, THR463B, THR558A, THR558B, THR572A, THR572B, TYR483A, TYR483B, TYR560A, TYR560B, TYR566A, TYR566B, TYR586A, TYR586B, TYR589A, TYR589B, VAL478A, VAL478B, VAL561A, VAL561B, VAL567A, VAL567B, VAL570A, VAL570B