3P23

crystal structure of the human kinase and rnase domains in complex with adp

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 84
  • Norm. En. per Res.: -2.7505
• 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	-9.7203	-12.2115	-167.653	-189.5848	91	7	6	7568	2	21	19
A-C	-13.8669	-77.3883	-139.79	-231.0452	84	8	0	6181	3	52	54
C-D	-3.289	-13.6613	-157.386	-174.3364	91	4	2	7570	2	18	21

Interface residues

• A-B: ALA581A, ALA581B, ALA719B, ALA783A, ALA783B, ALA789B, ARG600A, ARG600B, ARG635A, ARG635B, ARG781A, ARG781B, ASN784A, ASN784B, ASP634A, ASP634B, CYS605A, CYS605B, GLN636A, GLN636B, GLN780A, GLN780B, GLN782A, GLN782B, GLU582A, GLU582B, GLU604A, GLU604B, GLU735A, GLU735B, GLY578A, GLY580A, GLY580B, GLY583A, GLY583B, GLY736A, GLY736B, HIS579A, HIS579B, ILE585A, ILE585B, ILE601A, ILE601B, ILE738A, ILE738B, ILE785A, ILE785B, LEU577A, LEU602A, LEU602B, LEU718A, LEU718B, LEU743A, LEU743B, LEU779A, LEU779B, LEU786A, LEU786B, LEU787A, LEU787B, LYS574A, LYS717A, LYS717B, LYS777A, LYS777B, PHE571A, PHE571B, PHE606A, PHE606B, PHE637A, PHE637B, PRO573A, PRO573B, PRO603A, PRO603B, PRO740B, SER778A, SER778B, THR584A, THR584B, TYR587A, TYR587B, TYR639A, TYR639B, VAL564A, VAL564B, VAL566A, VAL566B, VAL576A, VAL576B, VAL586A
• A-C: ALA701A, ALA701C, ALA707A, ALA707C, ARG588C, ARG594A, ARG594C, ARG617A, ARG617C, ARG627A, ARG627C, ASN593A, ASN593C, ASN624A, ASN624C, ASN700A, ASN700C, ASP592A, ASP592C, ASP595A, ASP595C, ASP620A, ASP620C, CYS630A, CYS630C, GLN614A, GLN614C, GLN671A, GLN671C, GLU618A, GLU618C, GLU621A, GLU621C, GLU643A, GLU643C, GLY589A, GLY589C, GLY703A, GLY703C, HIS622A, HIS622C, HIS702A, HIS702C, ILE705A, ILE705C, LEU615A, LEU615C, LEU616A, LEU616C, LEU644A, LEU663C, LYS568A, LYS568C, LYS704A, LYS704C, LYS706A, LYS706C, MET590A, MET590C, MET698A, MET698C, MET708A, MET708C, PHE591A, PHE591C, PHE629A, PHE629C, PRO623A, PRO623C, PRO699A, PRO699C, SER570C, SER619A, SER619C, SER697A, SER697C, THR631A, THR631C, TYR628A, TYR628C, VAL596A, VAL596C, VAL613C, VAL625C
• C-D: ALA581C, ALA581D, ALA783C, ALA783D, ARG600C, ARG600D, ARG635C, ARG635D, ARG781C, ARG781D, ASN784C, ASN784D, ASP575C, ASP634C, ASP634D, CYS605C, CYS605D, GLN636C, GLN636D, GLN780C, GLN780D, GLN782C, GLN782D, GLU582C, GLU582D, GLU604C, GLU604D, GLU735C, GLU735D, GLY580C, GLY580D, GLY583C, GLY583D, GLY736C, GLY736D, GLY788D, HIS579C, HIS579D, ILE565C, ILE585C, ILE585D, ILE601C, ILE601D, ILE738C, ILE738D, ILE785C, ILE785D, LEU602C, LEU602D, LEU743C, LEU743D, LEU779C, LEU779D, LEU786C, LEU786D, LEU787C, LEU787D, LYS574C, LYS574D, LYS717C, LYS717D, LYS777C, LYS777D, PHE571C, PHE571D, PHE606C, PHE606D, PHE637C, PHE637D, PRO573C, PRO573D, PRO603C, PRO603D, SER562C, SER778C, SER778D, THR561C, THR561D, THR584C, THR584D, TYR587C, TYR587D, TYR639C, TYR639D, VAL564C, VAL564D, VAL566C, VAL566D, VAL576C, VAL576D, VAL731C