3TWV

crystal structure of arc4 from human tankyrase 2 in complex with peptide from human numa1 (chimeric peptide)

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 61
  • Norm. En. per Res.: -4.9676
• Hub Node: A(6)

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	-8.0988	-11.5487	-19.4275	-39.0751	21	0	0	828	1	11	16
A-C	-27.3046	-9.8765	-111.247	-148.428	70	6	0	5104	2	22	30
A-D	-54.5182	-7.0519	-71.5738	-133.1439	46	5	1	2366	2	32	31
A-E	-71.8064	-8.8539	-222.361	-303.0214	61	11	0	6825	3	17	18
A-F	0.0	0.0	-0.0007	-0.0007	3	0	0	2	0	2	3
A-H	-23.3526	-2.3539	-53.3892	-79.0957	24	3	0	1592	0	3	3
B-D	0.0	0.0	-1.8435	-1.8435	17	0	0	337	0	7	10
B-E	-12.9027	-9.8004	-89.6896	-112.3927	32	6	0	3302	0	4	7
B-F	-42.4203	-9.1009	-213.706	-265.2272	59	5	0	6794	3	17	18
C-G	-40.9314	-11.8538	-224.111	-276.8963	64	8	0	6973	3	17	17
D-E	-20.4954	-4.1927	-44.5966	-69.2847	22	7	0	1480	0	4	3
D-H	-48.4323	-17.7788	-219.705	-285.9161	63	5	0	6855	3	17	17
E-F	0.0	0.0	-0.2259	-0.2259	6	0	0	63	0	0	1
E-H	0.0	0.0	-6.4389	-6.4389	2	0	0	171	0	0	1

Interface residues

• A-B: ALA601A, ARG525A, ARG623B, ASN622B, ASN626B, ASP624B, GLY535A, GLY625B, HIS571A, LEU590B, LYS501A, LYS592B, LYS602A, LYS604A, LYS633A, PHE532A, PHE593B, SER568A, TRP591B, TYR536A, TYR569A
• A-C: ALA550A, ALA554A, ALA583A, ALA583C, ALA588A, ALA588C, ALA616C, ARG520A, ARG623A, ARG644C, ASN518A, ASN586A, ASN586C, ASP551A, ASP556A, ASP589A, ASP617C, CYS519A, GLN515A, GLN526A, GLN613C, GLY549A, GLY559A, GLY582A, GLY582C, GLY615C, HIS531A, HIS548A, HIS553A, HIS553C, HIS564A, HIS581C, HIS614C, ILE522A, LEU546C, LEU577C, LEU578C, LEU590A, LEU596C, LEU611C, LEU612C, LEU642C, LEU643C, LYS555A, LYS557A, LYS580C, LYS592A, LYS592C, LYS620A, LYS620C, LYS621C, PRO562A, PRO618C, SER516A, THR513A, THR528A, THR594A, THR594C, THR619C, VAL514A, VAL517A, VAL552A, VAL552C, VAL561A, VAL579C, VAL584A, VAL584C, VAL585C, VAL587A, VAL587C
• A-D: ARG538A, ARG538D, ASN537A, ASN537D, ASP636A, ASP636D, ASP638A, ASP638D, ASP641A, ASP641D, CYS608A, CYS608D, GLN613A, GLN613D, GLU573A, GLU573D, GLU606A, GLU606D, GLY570A, GLY570D, GLY603A, GLY603D, GLY635A, GLY635D, HIS571A, HIS571D, ILE607A, ILE607D, ILE639A, ILE639D, LEU642A, LEU642D, LYS604A, LYS604D, LYS609A, LYS609D, SER540A, SER540D, THR637A, THR637D, TYR572A, TYR572D, TYR605A, TYR605D, VAL539A, VAL539D
• A-E: ALA533A, ALA534A, ALA566A, ALA588A, ALA601A, ARG15E, ARG525A, ARG538A, ARG623A, ARG6E, ASN537A, ASN565A, ASN622A, ASP10E, ASP521A, ASP556A, ASP589A, ASP624A, CYS567A, GLN12E, GLN526A, GLN5E, GLN8E, GLU573A, GLU598A, GLY11E, GLY503A, GLY524A, GLY535A, GLY558A, GLY570A, HIS531A, HIS564A, HIS571A, HIS597A, LEU497A, LEU560A, LEU563A, LEU590A, LEU631A, LYS501A, LYS592A, LYS602A, LYS604A, PHE14E, PHE532A, PHE593A, PRO562A, PRO595A, PRO9E, SER13E, SER527A, SER568A, THR528A, THR594A, THR7E, TRP591A, TYR536A, TYR569A, VAL539A, VAL561A
• A-F: ARG6F, LYS602A, LYS633A
• A-H: ALA533A, ALA575A, ARG15H, ARG538A, ASN537A, GLN12H, GLU543A, GLU573A, GLU576A, GLU606A, GLY503A, HIS571A, LEU577A, LEU610A, LYS580A, PHE14H, SER13H, SER540A, TYR536A, TYR572A, VAL539A, VAL541A, VAL542A, VAL574A
• B-D: ARG644B, ASN626B, ASP630B, GLN547D, GLU543D, GLU573D, GLU576D, GLY625B, HIS614D, LEU577D, LEU629B, LYS580D, LYS621B, THR619B, THR627B, VAL539D, VAL579D
• B-E: ARG15E, ARG525B, ARG623B, ARG6E, ASN622B, ASN626B, ASP10E, ASP556B, ASP589B, ASP624B, ASP630B, GLN12E, GLN526B, GLN5E, GLN8E, GLY11E, GLY558B, GLY559B, GLY625B, LEU560B, LEU590B, LYS557B, LYS592B, LYS620B, LYS621B, PHE14E, PHE593B, PRO9E, SER13E, THR627B, THR7E, TRP591B
• B-F: ALA533B, ALA534B, ALA566B, ALA599B, ALA601B, ARG15F, ARG525B, ARG538B, ARG6F, ASN537B, ASN565B, ASN622B, ASP10F, ASP521B, ASP556B, ASP589B, ASP624B, CYS567B, GLN12F, GLN526B, GLN8F, GLU573B, GLU598B, GLY11F, GLY503B, GLY524B, GLY535B, GLY558B, GLY570B, HIS531B, HIS564B, HIS571B, HIS597B, LEU497B, LEU560B, LEU590B, LEU631B, LYS501B, LYS557B, LYS592B, LYS602B, LYS604B, PHE14F, PHE532B, PHE593B, PRO562B, PRO595B, PRO9F, SER13F, SER527B, SER568B, THR528B, THR594B, THR7F, TRP591B, TYR536B, TYR569B, VAL539B, VAL561B
• C-G: ALA502C, ALA533C, ALA534C, ALA566C, ALA588C, ALA601C, ARG15G, ARG525C, ARG538C, ARG623C, ARG6G, ASN537C, ASN565C, ASN622C, ASP10G, ASP521C, ASP556C, ASP589C, ASP624C, CYS567C, GLN12G, GLN526C, GLN5G, GLN8G, GLU523C, GLU573C, GLU598C, GLY11G, GLY503C, GLY524C, GLY535C, GLY558C, GLY570C, HIS531C, HIS564C, HIS571C, HIS597C, LEU497C, LEU4G, LEU560C, LEU590C, LEU631C, LYS501C, LYS557C, LYS592C, LYS602C, LYS604C, PHE14G, PHE532C, PHE593C, PRO562C, PRO595C, PRO9G, SER13G, SER527C, SER568C, THR528C, THR594C, THR7G, TRP591C, TYR536C, TYR569C, VAL539C, VAL561C
• D-E: ALA533D, ARG15E, ARG538D, ASN537D, GLN12E, GLU543D, GLU573D, GLU576D, GLY503D, HIS571D, LEU577D, LEU610D, LYS580D, PHE14E, SER13E, SER540D, TYR536D, TYR572D, VAL539D, VAL541D, VAL542D, VAL574D
• D-H: ALA502D, ALA533D, ALA534D, ALA566D, ALA588D, ALA601D, ARG15H, ARG525D, ARG538D, ARG623D, ARG6H, ASN537D, ASN565D, ASN622D, ASP10H, ASP521D, ASP556D, ASP589D, ASP624D, CYS567D, GLN12H, GLN526D, GLN8H, GLU573D, GLU598D, GLY11H, GLY503D, GLY524D, GLY535D, GLY558D, GLY559D, GLY570D, HIS531D, HIS564D, HIS571D, HIS597D, LEU497D, LEU560D, LEU563D, LEU590D, LEU631D, LYS501D, LYS557D, LYS592D, LYS602D, LYS604D, PHE14H, PHE532D, PHE593D, PRO562D, PRO595D, PRO9H, SER13H, SER527D, SER568D, THR528D, THR594D, THR7H, TRP591D, TYR536D, TYR569D, VAL539D, VAL561D
• E-F: ARG6E, ARG6F, GLN5E, GLN8E, THR7E, THR7F
• E-H: ARG15E, ARG15H