3OZ1

ciap1-bir3 domain in complex with the smac-mimetic compound smac066

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 37
  • Norm. En. per Res.: -5.8572
• 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	-58.0267	-48.2645	-110.426	-216.7172	37	7	0	3968	6	20	16
B-C	-10.815	0.0	-68.2251	-79.0401	39	2	0	2550	0	7	1
C-D	-19.1636	-34.1209	-54.4771	-107.7616	38	4	2	2708	4	7	7

Interface residues

• A-B: ALA287A, ALA287B, ARG326A, ARG326B, ARG332A, ARG332B, ASP340A, ASP340B, CYS327A, CYS327B, GLN336A, GLN336B, GLU328A, GLU328B, GLU337A, GLU337B, GLY335A, GLY335B, ILE331A, ILE331B, LEU330A, LEU330B, LYS334A, LYS334B, MET333A, MET333B, PHE329A, PHE329B, PHE338A, PHE338B, PRO325B, SER286A, SER286B, TRP317A, TRP317B, VAL339A, VAL339B
• B-C: ARG294B, ARG308B, ASN257B, ASN295B, ASP296B, ASP297B, ASP314C, ASP315C, GLN280C, GLN283C, GLU282C, GLU311C, GLY293B, GLY313C, HIS263C, LEU284C, LYS299B, MET260B, MET271B, PRO274B, PRO274C, PRO278C, PRO281C, PRO316C, SER275C, SER276C, SER286C, SER312C, THR269B, TRP273B, TRP273C, TRP310C, TRP317C, TYR272B, TYR290B, TYR291B, VAL277C, VAL279C, VAL292B
• C-D: ARG326C, ARG326D, ASP304C, ASP304D, CYS303C, CYS327C, GLN343C, GLN352C, GLN352D, GLU351C, GLU351D, GLY305C, GLY305D, GLY306C, GLY306D, HIS348C, HIS348D, LEU307C, LEU307D, LEU349C, LEU349D, LEU350C, LEU350D, LEU353C, LEU353D, LEU354C, LEU354D, LYS299D, LYS322C, LYS322D, PHE324C, PHE324D, PRO325C, PRO325D, PRO347C, PRO347D, TRP323C, TRP323D