1U0H

structural basis for the inhibition of mammalian adenylyl cyclase by mant-gtp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 162
  • Norm. En. per Res.: -3.3236
• 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	-68.2198	-80.6381	-389.562	-538.4198	162	41	13	17917	4	53	35
A-C	0.0	0.0	-60.127	-60.127	24	13	0	2185	0	2	2
B-C	-18.8085	-20.148	-188.25	-227.2065	78	7	3	7719	4	29	33

Interface residues

• A-B: ALA1007B, ALA1012B, ALA404A, ALA409A, ALA421A, ALA427A, ALA428A, ALA920B, ALA946B, ARG1029B, ARG422A, ARG434A, ARG484A, ARG491A, ARG500A, ARG913B, ASN1022B, ASN1025B, ASN417A, ASN509A, ASN515A, ASN905B, ASN916B, ASP1018B, ASP388A, ASP396A, ASP424A, ASP440A, ASP505A, ASP510A, ASP903B, ASP921B, ASP923B, ASP924B, CYS432A, CYS441A, CYS444A, CYS494A, CYS911B, GLN1013B, GLN1016B, GLN385A, GLN410A, GLN503A, GLN880B, GLU398A, GLU411A, GLU418A, GLU429A, GLU901B, GLU907B, GLU910B, GLU917B, GLU935B, GLY1008B, GLY1011B, GLY1021B, GLY1066B, GLY399A, GLY439A, GLY495A, GLY498A, GLY908B, GLY941B, HIS380A, HIS493A, HIS516A, HIS557A, HIS879B, HIS989B, ILE1006B, ILE1010B, ILE1019B, ILE382A, ILE384A, ILE435A, ILE437A, ILE918B, ILE919B, ILE937B, ILE940B, ILE986B, LEU412A, LEU416A, LEU419A, LEU426A, LEU433A, LEU438A, LEU497A, LEU499A, LEU909B, LEU912B, LEU914B, LEU915B, LEU925B, LEU926B, LEU950B, LYS1014B, LYS1065B, LYS1067B, LYS381A, LYS386A, LYS425A, LYS436A, LYS501A, LYS896B, LYS906B, LYS928B, LYS936B, LYS938B, LYS982B, MET378A, MET414A, MET945B, PHE379A, PHE394A, PHE400A, PHE420A, PHE423A, PHE504A, PHE889B, PHE895B, PHE922B, PHE931B, PRO1004B, PRO1015B, SER402A, SER405A, SER508A, SER881B, SER902B, SER927B, SER932B, SER942B, SER990B, THR1023B, THR401A, THR408A, THR415A, THR512A, THR900B, THR939B, THR943B, TRP1020B, TRP502A, TRP507A, TYR1017B, TYR383A, TYR442A, TYR443A, TYR553A, TYR899B, TYR944B, VAL1005B, VAL1009B, VAL1064B, VAL413A, VAL492A, VAL496A, VAL506A, VAL511A, VAL934B
• A-C: ARG280C, ARG283C, ARG356C, ASN239C, ASN279C, ASP240C, CYS237C, GLN236C, HIS357C, HIS380A, ILE235C, ILE285C, ILE382A, LEU282C, LYS381A, MET377A, MET378A, PHE238C, PHE379A, SER286C, THR284C, TRP234C, TRP281C, VAL241C
• B-C: ALA920B, ALA985B, ARG228C, ARG231C, ARG232C, ARG280C, ARG283C, ARG42C, ARG913B, ASN239C, ASN271C, ASN278C, ASN279C, ASN905B, ASN916B, ASN987B, ASN992B, ASP223C, ASP229C, ASP240C, ASP894B, ASP903B, ASP921B, ASP924B, ASP993B, CYS237C, CYS911B, GLN227C, GLN236C, GLU209C, GLU230C, GLU897B, GLU901B, GLU907B, GLU910B, GLU917B, GLY206C, GLY908B, HIS989B, ILE207C, ILE235C, ILE276C, ILE918B, ILE986B, LEU272C, LEU282C, LEU44C, LEU46C, LEU909B, LEU912B, LEU914B, LEU915B, LEU983B, LYS211C, LYS233C, LYS274C, LYS906B, LYS982B, LYS988B, PHE208C, PHE222C, PHE238C, PHE246C, PHE273C, PHE895B, PHE898B, PHE991B, PHE994B, SER275C, SER902B, SER990B, THR900B, TRP234C, TRP277C, TRP281C, TYR899B, VAL224C, VAL904B