3DTW

crystal structure of the vegfr2 kinase domain in complex with a benzisoxazole inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 65
  • Norm. En. per Res.: -2.2795
• 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	-13.3302	-18.6952	-116.141	-148.1664	65	3	0	4959	2	27	28

Interface residues

• A-B: ALA851A, ALA851B, ALA853B, ALA860B, ARG831A, ARG833A, ARG833B, ARG863B, ASN1040B, ASN933A, ASP832A, ASP852A, ASP852B, ASP857B, CYS862B, CYS905A, GLN847A, GLU1038B, GLU850A, GLU850B, GLU872A, GLU934A, GLY837A, GLY841A, GLY855B, GLY873A, GLY909A, GLY910A, ILE849A, ILE915A, LEU1036A, LEU834A, LEU836A, LEU840A, LEU870A, LEU912A, LYS1039B, LYS835A, LYS835B, LYS838A, LYS858B, LYS871A, LYS920A, LYS920B, LYS931A, LYS997B, MET869A, MET913A, PHE829A, PHE854A, PHE854B, PHE921A, PHE921B, PRO830A, PRO839A, PRO911A, SER1037B, SER930A, THR859B, THR861B, THR864B, TYR927A, TYR996B, VAL865B, VAL867A