3TWS

crystal structure of arc4 from human tankyrase 2 in complex with peptide from human terf1 (chimeric peptide)

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 67
  • Norm. En. per Res.: -4.6359
• 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	0.0	-16.0132	-20.5924	-36.6056	26	0	0	970	2	12	17
A-C	-26.6184	-7.4446	-115.248	-149.311	73	4	0	5115	2	23	30
A-D	-61.6885	-24.0771	-75.1848	-160.9504	49	10	1	2506	5	32	33
A-E	-58.3946	-33.3438	-218.87	-310.6084	67	12	1	6726	5	21	25
A-F	0.0	0.0	-3.7785	-3.7785	8	0	0	317	0	2	2
A-H	-15.4859	-1.3461	-45.2163	-62.0483	21	2	0	1431	0	3	3
B-D	0.0	0.0	-1.596	-1.596	18	0	0	285	0	9	10
B-E	-13.6605	-10.8473	-90.1445	-114.6523	33	5	0	3705	0	7	11
B-F	-32.9328	-46.8704	-191.154	-270.9572	63	8	1	6230	3	17	19
C-G	-33.1971	-9.2945	-201.501	-243.9926	62	8	1	6302	3	17	17
D-E	-18.5695	-9.6435	-55.0666	-83.2796	23	1	0	1588	0	4	3
D-H	-42.5101	-10.4722	-195.432	-248.4143	60	11	1	6318	3	17	17
E-F	0.0	0.0	-5.4537	-5.4537	10	0	0	369	0	0	2
E-H	0.0	0.0	-5.3951	-5.3951	2	0	0	159	0	0	1

Interface residues

• A-B: ALA601A, ARG525A, ARG623B, ASN622B, ASN626B, ASP624B, GLY535A, GLY570A, GLY625B, HIS571A, LEU590B, LEU631B, LYS501A, LYS557B, LYS592B, LYS602A, LYS604A, LYS633A, LYS633B, PHE532A, PHE593B, SER568A, TRP591A, 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, GLU576C, GLY549A, GLY559A, GLY582A, GLY582C, GLY615C, GLY645C, HIS531A, HIS548A, HIS553A, HIS553C, HIS564A, HIS581C, HIS614C, ILE522A, LEU546C, LEU577C, LEU578C, LEU590A, LEU596C, LEU611C, LEU612C, LEU629C, LEU642C, LEU643C, LYS555A, LYS557A, LYS580C, LYS592A, LYS592C, LYS620A, LYS620C, LYS621C, PRO562A, PRO618C, PRO628C, SER516A, THR513A, THR528A, 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, GLN640A, GLU573A, GLU573D, GLU606A, GLU606D, GLY570A, GLY570D, GLY603A, GLY603D, GLY635A, GLY635D, HIS571A, HIS571D, ILE607A, ILE607D, ILE639A, ILE639D, LEU642A, LEU642D, LYS604A, LYS604D, LYS609A, LYS609D, LYS633A, SER540A, SER540D, THR637A, THR637D, TYR572A, TYR572D, TYR605A, TYR605D, VAL539A, VAL539D, VAL632A
• A-E: ALA502A, ALA533A, ALA534A, ALA566A, ALA588A, ALA601A, ALA9E, ARG15E, ARG525A, ARG538A, ARG623A, ARG6E, ASN537A, ASN565A, ASN622A, ASN626A, ASP10E, ASP521A, ASP556A, ASP589A, ASP624A, CYS567A, CYS8E, GLN12E, GLN526A, GLN5E, GLU573A, GLU598A, GLY11E, GLY503A, GLY524A, GLY535A, GLY558A, GLY559A, GLY570A, GLY625A, GLY7E, HIS3E, HIS531A, HIS564A, HIS571A, HIS597A, LEU497A, LEU4E, LEU560A, LEU590A, LEU631A, LYS501A, LYS557A, LYS592A, LYS602A, LYS604A, PHE14E, PHE532A, PHE593A, PRO562A, PRO595A, SER13E, SER527A, SER568A, THR528A, THR594A, TRP591A, TYR536A, TYR569A, VAL539A, VAL561A
• A-F: ALA600A, ALA601A, ARG6F, GLN5F, LEU631A, LYS602A, LYS633A, PHE593A
• A-H: ALA533A, ARG15H, ARG538A, ASN537A, GLN12H, GLU543A, GLU573A, GLU576A, GLY503A, HIS571A, LEU577A, LEU610A, PHE14H, SER13H, SER540A, TYR536A, TYR572A, VAL539A, VAL541A, VAL542A, VAL574A
• B-D: ARG644B, ASN626B, ASP624B, ASP630B, GLN547D, GLU543D, GLU573D, GLU576D, GLY625B, HIS614D, LEU577D, LEU629B, LYS580D, LYS621B, THR619B, THR627B, TYR572D, VAL539D
• B-E: ALA9E, ARG15E, ARG525B, ARG623B, ARG6E, ASN622B, ASN626B, ASP10E, ASP556B, ASP589B, ASP624B, ASP630B, CYS8E, GLN12E, GLN526B, GLN5E, GLY11E, GLY524B, GLY558B, GLY559B, GLY625B, GLY7E, HIS3E, LEU4E, LEU560B, LEU590B, LYS557B, LYS592B, LYS621B, PHE14E, SER13E, THR627B, TRP591B
• B-F: ALA502B, ALA533B, ALA534B, ALA566B, ALA588B, ALA601B, ALA9F, ARG15F, ARG525B, ARG538B, ARG623B, ARG6F, ASN537B, ASN565B, ASN622B, ASP10F, ASP521B, ASP556B, ASP589B, ASP624B, CYS567B, CYS8F, GLN12F, GLN526B, GLN5F, GLU573B, GLU598B, GLY11F, GLY503B, GLY524B, GLY535B, GLY558B, GLY559B, GLY570B, GLY7F, HIS531B, HIS564B, HIS571B, HIS597B, LEU497B, LEU560B, LEU590B, LEU631B, LYS501B, LYS557B, LYS592B, LYS602B, LYS604B, PHE14F, PHE532B, PHE593B, PRO562B, PRO595B, SER13F, SER527B, SER568B, THR528B, THR594B, TRP591B, TYR536B, TYR569B, VAL539B, VAL561B
• C-G: ALA502C, ALA533C, ALA534C, ALA566C, ALA588C, ALA601C, ALA9G, ARG15G, ARG525C, ARG538C, ARG623C, ARG6G, ASN537C, ASN565C, ASN622C, ASP10G, ASP521C, ASP556C, ASP589C, ASP624C, CYS567C, CYS8G, GLN12G, GLN526C, GLU573C, GLU598C, GLY11G, GLY503C, GLY524C, GLY535C, GLY558C, GLY559C, GLY570C, GLY7G, HIS531C, HIS564C, HIS571C, HIS597C, LEU497C, LEU560C, LEU590C, LEU631C, LYS501C, LYS557C, LYS592C, LYS602C, LYS604C, PHE14G, PHE532C, PHE593C, PRO562C, PRO595C, SER13G, SER527C, SER568C, THR528C, THR594C, TRP591C, TYR536C, TYR569C, VAL539C, VAL561C
• D-E: ALA533D, ALA575D, ARG15E, ARG538D, ASN537D, GLN12E, GLU543D, GLU573D, GLU576D, HIS571D, HIS614D, LEU577D, LEU610D, LYS580D, PHE14E, SER13E, SER540D, TYR536D, TYR572D, VAL539D, VAL541D, VAL542D, VAL574D
• D-H: ALA533D, ALA534D, ALA566D, ALA588D, ALA601D, ALA9H, ARG15H, ARG525D, ARG538D, ARG623D, ARG6H, ASN537D, ASN565D, ASN622D, ASP10H, ASP521D, ASP556D, ASP589D, ASP624D, CYS567D, CYS8H, GLN12H, GLN526D, GLU573D, GLU598D, GLY11H, GLY503D, GLY524D, GLY535D, GLY558D, GLY559D, GLY570D, GLY7H, HIS531D, HIS564D, HIS571D, HIS597D, LEU497D, LEU560D, LEU590D, LEU631D, LYS501D, LYS592D, LYS602D, LYS604D, PHE14H, PHE532D, PHE593D, PRO562D, PRO595D, SER13H, SER527D, SER568D, THR528D, THR594D, TRP591D, TYR536D, TYR569D, VAL539D, VAL561D
• E-F: ALA9F, ARG6E, ARG6F, CYS8E, CYS8F, GLN5F, GLY7E, GLY7F, HIS3E, LEU4E
• E-H: ARG15E, ARG15H