3TWW

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

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 63
  • Norm. En. per Res.: -4.6133
• Hub Node: A(3)

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	-49.041	-11.5286	-71.0848	-131.6545	46	5	1	2264	4	30	30
A-C	-54.9688	-11.5515	-224.119	-290.6393	63	8	0	6953	4	17	18
A-D	-15.5854	-2.2233	-47.368	-65.1767	21	2	0	1424	0	4	3
B-C	-19.9588	-8.6151	-49.9377	-78.5116	21	3	0	1493	0	3	3
B-D	-37.0241	-12.0625	-208.488	-257.5746	61	6	0	6626	5	17	17
C-D	0.0	0.0	-8.8697	-8.8697	2	0	0	187	0	0	1

Interface residues

• A-B: ARG538A, ARG538B, ASN537A, ASN537B, ASP636A, ASP636B, ASP638A, ASP638B, ASP641A, ASP641B, CYS608A, CYS608B, GLN613A, GLN613B, GLU573A, GLU573B, GLU606A, GLU606B, GLY570A, GLY570B, GLY603A, GLY603B, GLY635A, GLY635B, HIS571A, HIS571B, ILE607A, ILE607B, ILE639A, ILE639B, LEU642A, LEU642B, LYS604A, LYS604B, LYS609A, LYS609B, SER540A, SER540B, THR637A, THR637B, TYR572A, TYR572B, TYR605A, TYR605B, VAL539A, VAL539B
• A-C: ALA533A, ALA534A, ALA566A, ALA588A, ALA601A, ARG15C, ARG525A, ARG538A, ARG623A, ARG6C, ASN537A, ASN565A, ASN622A, ASP10C, ASP521A, ASP556A, ASP589A, ASP624A, CYS567A, GLN12C, GLN526A, GLN5C, GLN7C, GLU598A, GLY11C, GLY503A, GLY524A, GLY535A, GLY558A, GLY559A, GLY570A, HIS531A, HIS564A, HIS571A, HIS597A, LEU497A, LEU560A, LEU563A, LEU590A, LEU631A, LYS501A, LYS557A, LYS592A, LYS602A, LYS604A, PHE14C, PHE532A, PHE593A, PRO562A, PRO595A, PRO9C, SER13C, SER527A, SER568A, SER8C, THR528A, THR594A, TRP591A, TYR536A, TYR569A, VAL539A, VAL561A, VAL574A
• A-D: ALA533A, ARG15D, ARG538A, ASN537A, GLN12D, GLU543A, GLU573A, GLU576A, GLY503A, HIS571A, LEU577A, LYS580A, PHE14D, SER13D, SER540A, TYR536A, TYR572A, VAL539A, VAL541A, VAL542A, VAL574A
• B-C: ALA533B, ARG15C, ARG538B, ASN537B, GLN12C, GLU543B, GLU573B, GLU576B, HIS571B, LEU577B, LEU610B, LYS580B, PHE14C, SER13C, SER540B, TYR536B, TYR572B, VAL539B, VAL541B, VAL542B, VAL574B
• B-D: ALA533B, ALA534B, ALA566B, ALA588B, ALA601B, ARG15D, ARG525B, ARG538B, ARG623B, ARG6D, ASN537B, ASN565B, ASN622B, ASP10D, ASP521B, ASP556B, ASP589B, ASP624B, CYS567B, GLN12D, GLN526B, GLN7D, GLU573B, GLU598B, GLY11D, GLY503B, GLY524B, GLY535B, GLY558B, GLY559B, GLY570B, HIS531B, HIS564B, HIS571B, HIS597B, LEU497B, LEU560B, LEU590B, LEU631B, LYS501B, LYS557B, LYS592B, LYS602B, LYS604B, PHE14D, PHE532B, PHE593B, PRO562B, PRO595B, PRO9D, SER13D, SER527B, SER568B, SER8D, THR528B, THR594B, TRP591B, TYR536B, TYR569B, VAL539B, VAL561B
• C-D: ARG15C, ARG15D