3RCD

her2 kinase domain complexed with tak-285

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 83
  • Norm. En. per Res.: -3.0483
• 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	-40.6128	-10.4324	-190.538	-241.5832	80	12	5	9024	0	21	22
A-D	0.0	0.0	-0.0249	-0.0249	3	0	0	13	0	0	0
B-D	-21.0601	1.3584	-81.4673	-101.169	69	5	1	4027	0	15	18
C-D	-37.8251	-11.8564	-203.33	-253.0115	83	13	6	9447	0	22	24

Interface residues

• A-B: ALA710B, ALA763B, ALA775B, ARG713B, ARG756B, ARG940A, ARG985A, ASN764B, ASP742B, ASP769B, ASP924A, ASP950A, ASP962A, CYS789B, CYS947A, CYS965A, GLN795B, GLN943A, GLN984A, GLU717B, GLU719B, GLU744B, GLU766B, GLU770B, GLU936A, GLU939A, GLY787B, GLY925A, GLY938A, ILE714B, ILE767B, ILE788B, ILE926A, ILE931A, ILE946A, ILE949A, ILE954A, ILE961A, LEU711B, LEU712B, LEU715B, LEU755B, LEU768B, LEU786B, LEU790B, LEU796B, LEU934A, LEU935A, LEU941A, LYS716B, LYS762B, LYS765B, LYS937A, LYS957A, MET953A, MET955A, MET960A, PHE986A, PRO741B, PRO761B, PRO922A, PRO942A, PRO944A, PRO945A, SER792B, THR718B, THR791B, THR793B, THR948A, TRP739B, TRP913A, TRP959A, TYR772B, TYR923A, TYR952A, VAL794B, VAL951A, VAL956A, VAL987A, VAL988A
• A-D: ARG978A, ARG985A, ASN991D
• B-D: ALA730B, ALA928B, ALA980D, ARG721B, ARG756B, ARG816D, ARG929B, ARG978D, ARG981D, ARG985D, ASN745D, ASN824D, ASN857D, ASN991D, ASP821D, ASP924B, ASP982D, GLN795B, GLN820D, GLN828D, GLN984D, GLU717B, GLU744D, GLU930B, GLY727B, GLY729B, GLY732B, GLY737B, GLY818D, GLY925B, HIS858D, ILE926B, LEU1000D, LEU755B, LEU822D, LEU823D, LEU934B, LYS722B, LYS724B, LYS736B, LYS747D, LYS753B, LYS831D, LYS887B, MET827D, MET979D, PHE731B, PHE976D, PRO761B, PRO856D, PRO927B, PRO983D, SER728B, SER792B, SER819D, SER855D, SER977D, THR718B, THR733B, THR791B, THR793B, TYR735B, TYR781D, VAL723B, VAL725B, VAL734B, VAL746D, VAL754B, VAL973D
• C-D: ALA710D, ALA763D, ALA775D, ARG713D, ARG756D, ARG940C, ARG985C, ASN764D, ASP742D, ASP769D, ASP924C, ASP950C, ASP962C, CYS789D, CYS947C, CYS965C, GLN795D, GLN943C, GLN984C, GLU717D, GLU719D, GLU744D, GLU766D, GLU770D, GLU936C, GLU939C, GLY743D, GLY787D, GLY938C, ILE714D, ILE767D, ILE788D, ILE926C, ILE931C, ILE946C, ILE949C, ILE954C, ILE961C, ILE989C, LEU711D, LEU712D, LEU715D, LEU755D, LEU768D, LEU786D, LEU790D, LEU796D, LEU934C, LEU935C, LEU941C, LYS716D, LYS762D, LYS765D, LYS937C, LYS957C, MET953C, MET955C, MET960C, PHE986C, PRO741D, PRO761D, PRO922C, PRO942C, PRO944C, PRO945C, PRO983C, SER792D, SER963C, THR718D, THR791D, THR793D, THR948C, TRP739D, TRP913C, TRP959C, TYR772D, TYR923C, TYR952C, VAL794D, VAL951C, VAL956C, VAL987C, VAL988C