2YA3

structure of the regulatory fragment of mammalian ampk in complex with coumarin adp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 107
  • Norm. En. per Res.: -5.8969
• 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	-116.7183	-27.3118	-486.936	-630.9661	107	21	15	17672	2	18	17
A-E	-25.8126	31.2487	-161.562	-156.126	74	15	3	6664	0	10	13
B-E	-124.6599	-14.4277	-253.387	-392.4746	85	15	13	10416	0	19	17

Interface residues

• A-B: ALA243B, ALA255B, ALA395A, ALA540A, ARG201B, ARG258B, ARG401A, ARG405A, ARG464A, ASN218B, ASN239B, ASN407A, ASN428A, ASN541A, ASP455A, ASP462A, ASP467A, ASP468A, CYS539A, GLN214B, GLN450A, GLN453A, GLU199B, GLU200B, GLU534A, GLU537A, GLY399A, HIS211B, HIS235B, HIS240B, HIS257B, HIS397A, HIS531A, ILE207B, ILE216B, ILE246B, ILE272B, ILE400A, ILE409A, ILE466A, ILE533A, ILE543A, LEU208B, LEU212B, LEU213B, LEU217B, LEU238B, LEU241B, LEU244B, LEU253B, LEU267B, LEU268B, LEU398A, LEU451A, LEU460A, LEU461A, LEU542A, LYS203B, LYS219B, LYS247B, LYS270B, LYS446A, LYS544A, MET237B, MET251B, MET394A, MET410A, MET447A, MET538A, PHE202B, PHE463A, PHE535A, PHE536A, PRO205B, PRO206B, PRO209B, PRO271B, PRO406A, PRO429A, SER204B, SER245B, SER254B, SER404A, SER448A, SER456A, SER465A, SER530A, THR256B, THR265B, THR266B, THR458A, THR532A, TRP396A, TYR242B, TYR259B, TYR269B, TYR430A, TYR431A, TYR452A, TYR459A, VAL215B, VAL236B, VAL252B, VAL264B, VAL427A, VAL454A, VAL549A
• A-E: ALA135E, ALA525A, ALA62E, ARG146E, ARG436A, ARG527A, ASN147E, ASN161E, ASN438A, ASN541A, ASN66E, ASP139E, ASP156E, ASP468A, ASP51E, ASP75E, CYS130E, GLN79E, GLU158E, GLU469A, GLU534A, GLU537A, GLY160E, GLY529A, GLY67E, GLY83E, HIS531A, ILE131E, ILE155E, ILE533A, LEU128E, LEU152E, LEU163E, LEU47E, LEU73E, LYS46E, LYS77E, LYS78E, MET394A, PHE125E, PHE50E, PHE535A, PHE536A, PHE61E, PHE81E, PRO127E, PRO153E, PRO157E, PRO439A, PRO526A, PRO528A, PRO72E, SER132E, SER143E, SER159E, SER442A, SER445A, SER530A, SER76E, SER80E, THR162E, THR441A, THR443A, THR532A, THR65E, TRP396A, TRP74E, VAL129E, VAL440A, VAL48E, VAL49E, VAL524A, VAL64E, VAL82E
• B-E: ALA255B, ALA59E, ALA62E, ALA71E, ARG170E, ARG258B, ARG36E, ASN134E, ASN161E, ASN218B, ASN66E, ASP156E, ASP248B, ASP39E, ASP51E, CYS37E, GLN55E, GLN79E, GLU114E, GLU158E, GLY160E, HIS235B, HIS257B, ILE113E, ILE155E, ILE165E, ILE272B, ILE41E, LEU163E, LEU244B, LEU253B, LEU267B, LEU268B, LEU40E, LEU47E, LEU54E, LEU63E, LEU73E, LYS112E, LYS219B, LYS247B, LYS260B, LYS261B, LYS262B, LYS270B, LYS46E, LYS58E, MET251B, PHE174E, PHE50E, PHE61E, PHE81E, PRO133E, PRO157E, PRO271B, PRO42E, PRO72E, SER132E, SER159E, SER249B, SER254B, SER44E, SER45E, SER53E, SER76E, THR162E, THR256B, THR265B, THR266B, THR43E, THR52E, THR65E, TRP74E, TYR164E, TYR259B, TYR263B, TYR269B, TYR38E, VAL154E, VAL250B, VAL252B, VAL264B, VAL48E, VAL49E, VAL68E