1P17

hypoxanthine phosphoribosyltransferase from trypanosoma cruzi, k68r mutant, complexed with the product imp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 163
  • Norm. En. per Res.: -3.8249
• 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	-43.0046	-129.5766	-446.415	-618.9962	166	31	11	19128	14	77	66
A-C	-14.9442	10.8904	-225.818	-229.8718	79	18	0	8789	0	14	17
A-D	0.0	0.0	-10.2964	-10.2964	14	3	0	649	0	2	2
B-C	0.0	8.7048	-24.688	-15.9832	45	6	0	1666	0	11	12
B-D	-22.4533	51.0494	-193.626	-165.0298	72	21	0	7789	0	8	20
C-D	-44.7023	-133.1193	-445.63	-623.4516	163	32	11	19073	14	75	63

Interface residues

• A-B: ALA196B, ALA26A, ALA26B, ALA59A, ALA59B, ALA64A, ALA64B, ARG177A, ARG177B, ARG180A, ARG180B, ARG193A, ARG193B, ARG197B, ARG19A, ARG19B, ARG39A, ARG39B, ARG3A, ARG3B, ARG52A, ARG52B, ARG63A, ARG63B, ARG73A, ARG73B, ARG93A, ARG93B, ARG99A, ARG99B, ASN43A, ASN43B, ASN69A, ASN69B, ASP171A, ASP171B, ASP173A, ASP173B, ASP174A, ASP174B, ASP181A, ASP181B, ASP60A, ASP60B, ASP67A, ASP67B, ASP97A, ASP97B, CYS62A, CYS62B, CYS66A, CYS66B, CYS78A, CYS78B, GLN91B, GLU15A, GLU15B, GLU178A, GLU178B, GLU192A, GLU192B, GLU194B, GLU4A, GLU4B, GLU6A, GLU6B, GLU75A, GLU75B, GLY169A, GLY169B, GLY53A, GLY53B, HIS100A, HIS100B, HIS105A, ILE166A, ILE166B, ILE18A, ILE18B, ILE22A, ILE22B, ILE77A, ILE77B, LEU179A, LEU179B, LEU185A, LEU185B, LEU45A, LEU45B, LEU47A, LEU47B, LEU51A, LEU51B, LEU61A, LEU61B, LEU65A, LEU65B, LEU95A, LEU95B, LEU96A, LEU96B, LYS200B, LYS23A, LYS23B, MET56A, MET56B, MET74A, MET74B, MET94A, MET94B, PHE164B, PHE55A, PHE55B, PHE57A, PHE57B, PHE68A, PHE68B, PHE76A, PHE76B, PHE7A, PHE7B, PRO40A, PRO40B, PRO44A, PRO44B, PRO71A, PRO71B, SER49A, SER49B, SER54A, SER54B, SER80A, SER80B, SER81A, SER81B, THR175A, THR175B, THR58A, THR58B, THR98A, THR98B, TYR168A, TYR168B, TYR172A, TYR172B, TYR176A, TYR176B, TYR190A, TYR190B, TYR41A, TYR41B, TYR5A, TYR5B, TYR82A, VAL189A, VAL189B, VAL42A, VAL42B, VAL46A, VAL46B, VAL70A, VAL70B, VAL72A, VAL72B, VAL79A, VAL79B
• A-C: ARG130A, ARG130C, ARG131A, ARG131C, ARG93A, ARG93C, ARG99A, ARG99C, ASN121A, ASN121C, ASP97A, ASP97C, CYS78A, CYS78C, GLN91A, GLN91C, GLU103A, GLU103C, GLU75A, GLU75C, GLU84C, GLY104A, GLY104C, GLY83A, GLY83C, GLY90A, GLY90C, HIS100A, HIS100C, HIS105A, HIS125A, HIS125C, ILE102A, ILE102C, ILE48A, ILE48C, ILE77A, ILE77C, LEU118A, LEU118C, LEU95A, LEU95C, LEU96A, LEU96C, MET126A, MET126C, MET94A, MET94C, PHE76A, PHE76C, PRO132A, PRO132C, PRO150C, SER101A, SER101C, SER80A, SER80C, SER81A, SER81C, SER88A, SER88C, SER89A, SER89C, THR129A, THR129C, THR87A, THR98A, THR98C, TYR122A, TYR122C, TYR127A, TYR127C, TYR82A, TYR82C, VAL107A, VAL149A, VAL149C, VAL92A, VAL92C
• A-D: ARG52A, ARG52D, ARG93A, ARG93D, CYS78A, CYS78D, LEU95A, LEU95D, LEU96D, MET94A, MET94D, SER80A, SER80D, VAL79A
• B-C: ALA163C, ALA196C, ALA203B, ALA207B, ARG186C, ARG202B, ARG211B, ARG52B, ARG52C, ARG93B, ARG93C, ASN162C, ASP115C, ASP173C, ASP208B, ASP210B, CYS78B, CYS78C, GLN201B, GLU194C, GLU84C, GLU9C, GLY83C, ILE204B, LEU185C, LEU95B, LEU95C, LEU96B, LYS143C, LYS200B, MET94B, MET94C, PHE164C, PRO187C, SER206B, SER80B, SER80C, THR209B, TYR172C, TYR190C, TYR82B, VAL165C, VAL184C, VAL79B, VAL79C
• B-D: ALA117D, ARG130B, ARG130D, ARG131B, ARG131D, ARG148B, ARG148D, ARG73B, ARG73D, ARG93B, ARG93D, ARG99B, ARG99D, ASN121B, ASN121D, ASP97B, ASP97D, GLU103B, GLU103D, GLU75B, GLU75D, GLY90B, HIS100B, HIS100D, HIS125B, HIS125D, ILE102B, ILE102D, ILE48D, ILE77B, ILE77D, LEU118B, LEU118D, LEU123B, LEU123D, LEU95B, LEU95D, LEU96B, LEU96D, MET126B, MET126D, MET94B, MET94D, PHE128B, PHE128D, SER101B, SER101D, SER80B, SER80D, SER81B, SER81D, SER89B, THR116B, THR116D, THR119B, THR119D, THR129B, THR129D, THR98B, THR98D, TYR122B, TYR122D, TYR127B, TYR127D, TYR82B, TYR82D, VAL149B, VAL149D, VAL79B, VAL79D, VAL92B, VAL92D
• C-D: ALA191C, ALA196D, ALA26C, ALA26D, ALA59C, ALA59D, ALA64C, ALA64D, ARG177C, ARG177D, ARG180C, ARG180D, ARG193C, ARG193D, ARG197D, ARG19C, ARG19D, ARG39C, ARG39D, ARG3C, ARG3D, ARG52C, ARG52D, ARG63C, ARG63D, ARG73C, ARG73D, ARG93C, ARG93D, ARG99C, ARG99D, ASN43C, ASN43D, ASN69C, ASN69D, ASP171C, ASP171D, ASP173C, ASP173D, ASP174C, ASP174D, ASP181C, ASP181D, ASP60C, ASP60D, ASP67C, ASP67D, ASP97C, ASP97D, CYS62C, CYS62D, CYS66C, CYS66D, CYS78C, CYS78D, GLU15C, GLU15D, GLU178C, GLU178D, GLU192C, GLU192D, GLU194C, GLU194D, GLU4C, GLU4D, GLU6C, GLU75C, GLU75D, GLY169C, GLY169D, GLY53C, GLY53D, HIS100C, HIS100D, ILE166C, ILE166D, ILE18C, ILE18D, ILE22C, ILE22D, ILE77C, ILE77D, LEU179C, LEU179D, LEU185C, LEU185D, LEU45C, LEU45D, LEU47C, LEU47D, LEU51C, LEU51D, LEU61C, LEU61D, LEU65C, LEU65D, LEU95C, LEU95D, LEU96C, LEU96D, LYS23C, LYS23D, MET56C, MET56D, MET74C, MET74D, MET94C, MET94D, PHE55C, PHE55D, PHE57C, PHE57D, PHE68C, PHE68D, PHE76C, PHE76D, PHE7C, PHE7D, PRO40C, PRO40D, PRO44C, PRO44D, PRO71C, PRO71D, SER49C, SER49D, SER54C, SER54D, SER80C, SER80D, SER81C, SER81D, THR175C, THR175D, THR58C, THR58D, THR98C, THR98D, TYR168C, TYR168D, TYR172C, TYR172D, TYR176C, TYR176D, TYR190C, TYR190D, TYR41C, TYR41D, TYR5C, TYR5D, TYR82C, VAL189C, VAL189D, VAL42C, VAL42D, VAL46C, VAL46D, VAL70C, VAL70D, VAL72C, VAL72D, VAL79C, VAL79D