3T4N

structure of the regulatory fragment of saccharomyces cerevisiae ampk in complex with adp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 172
  • Norm. En. per Res.: -5.5252
• 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	-166.627	-32.9029	-750.813	-950.3429	172	26	20	28330	3	22	27
A-C	-156.7252	-9.7569	-514.57	-681.0521	171	30	9	19609	0	29	23
B-C	-141.3575	-9.6222	-306.343	-457.3227	100	19	14	12005	1	20	18

Interface residues

• A-B: ALA311B, ALA357B, ALA394B, ALA525A, ALA531A, ALA534A, ALA612A, ALA627A, ARG321B, ARG398B, ARG504A, ARG510A, ARG547A, ASN349B, ASN353B, ASN374B, ASN379B, ASN528A, ASN579A, ASP308B, ASP315B, ASP360B, ASP517A, ASP540A, ASP583A, ASP587A, CYS392B, GLN342B, GLN346B, GLN401B, GLN406B, GLN571A, GLN574A, GLU304B, GLU320B, GLU348B, GLU364B, GLU413B, GLU521A, GLU532A, GLU538A, GLU539A, GLU576A, GLU590A, GLY508A, GLY520A, GLY530A, GLY588A, HIS375B, HIS380B, HIS506A, HIS617A, ILE309B, ILE351B, ILE386B, ILE396B, ILE407B, ILE412B, ILE509A, ILE522A, ILE524A, ILE544A, ILE570A, ILE575A, ILE623A, LEU338B, LEU343B, LEU347B, LEU352B, LEU378B, LEU381B, LEU391B, LEU408B, LEU516A, LEU526A, LEU541A, LEU546A, LEU565A, LEU572A, LEU581A, LEU616A, LEU618A, LEU622A, LYS354B, LYS387B, LYS400B, LYS402B, LYS499A, LYS500A, LYS502A, LYS527A, LYS535A, LYS545A, LYS567A, LYS585A, LYS621A, MET303B, MET319B, MET519A, MET566A, MET568A, MET624A, PHE313B, PHE507A, PHE573A, PHE584A, PHE586A, PHE610A, PHE615A, PRO310B, PRO316B, PRO340B, PRO341B, PRO344B, PRO345B, PRO373B, PRO411B, PRO515A, PRO536A, PRO614A, SER336B, SER384B, SER385B, SER395B, SER501A, SER537A, SER608A, SER611A, THR306B, THR307B, THR314B, THR339B, THR383B, THR390B, THR405B, THR410B, THR503A, THR543A, THR577A, THR609A, THR619A, THR620A, TRP337B, TRP505A, TRP533A, TRP542A, TRP548A, TYR305B, TYR322B, TYR323B, TYR355B, TYR356B, TYR399B, TYR409B, TYR514A, TYR523A, TYR550A, TYR580A, TYR613A, VAL312B, VAL318B, VAL350B, VAL376B, VAL377B, VAL382B, VAL393B, VAL397B, VAL404B, VAL518A, VAL569A, VAL582A, VAL628A
• A-C: ALA261C, ALA291C, ALA480A, ALA484A, ALA489A, ALA490A, ALA612A, ARG159C, ARG264C, ARG265C, ARG41C, ARG479A, ARG75C, ASN235C, ASN252C, ASN278C, ASN287C, ASN481A, ASN56C, ASN61C, ASP152C, ASP154C, ASP241C, ASP253C, ASP267C, ASP268C, ASP279C, ASP286C, ASP300C, ASP301C, ASP46C, ASP564A, ASP587A, ASP70C, CYS275C, GLN153C, GLN476A, GLN485A, GLN60C, GLU155C, GLU156C, GLU160C, GLU260C, GLU270C, GLU590A, GLY244C, GLY248C, GLY249C, GLY259C, GLY271C, GLY303C, GLY588A, HIS128C, HIS158C, HIS478A, HIS617A, ILE151C, ILE161C, ILE189C, ILE226C, ILE227C, ILE234C, ILE246C, ILE284C, ILE288C, ILE43C, ILE469A, ILE477A, ILE493A, ILE562A, ILE63C, LEU233C, LEU243C, LEU245C, LEU256C, LEU262C, LEU281C, LEU305C, LEU309C, LEU42C, LEU45C, LEU470A, LEU474A, LEU483A, LEU496A, LEU55C, LEU565A, LEU58C, LEU59C, LEU616A, LEU618A, LYS247C, LYS277C, LYS280C, LYS492A, LYS499A, LYS500A, LYS502A, LYS567A, LYS621A, LYS72C, MET205C, MET263C, MET285C, MET482A, MET566A, PHE269C, PHE296C, PHE297C, PHE586A, PHE610A, PHE615A, PHE76C, PRO129C, PRO225C, PRO471A, PRO475A, PRO488A, PRO495A, PRO563A, PRO614A, PRO67C, SER257C, SER266C, SER282C, SER465A, SER468A, SER473A, SER487A, SER48C, SER491A, SER494A, SER501A, SER608A, SER611A, SER62C, SER71C, SER74C, THR157C, THR206C, THR274C, THR276C, THR283C, THR466A, THR472A, THR498A, THR503A, THR609A, THR620A, THR73C, TRP505A, TRP589A, TRP69C, TYR232C, TYR240C, TYR273C, TYR33C, TYR550A, TYR613A, VAL162C, VAL163C, VAL236C, VAL258C, VAL272C, VAL293C, VAL298C, VAL299C, VAL44C, VAL467A, VAL497A, VAL57C
• B-C: ALA369B, ALA394B, ALA66C, ARG289C, ARG398B, ARG41C, ASN363B, ASN366B, ASN379B, ASN389B, ASN56C, ASN61C, ASP152C, ASP154C, ASP34C, ASP360B, ASP46C, ASP70C, CYS392B, GLN106C, GLN153C, GLN359B, GLN401B, GLN406B, GLN60C, GLU155C, GLU156C, GLU364B, HIS128C, HIS388B, ILE151C, ILE161C, ILE372B, ILE396B, ILE407B, ILE412B, ILE43C, ILE63C, LEU107C, LEU150C, LEU177C, LEU36C, LEU370B, LEU391B, LEU408B, LEU42C, LEU45C, LEU49C, LEU50C, LEU58C, LEU68C, LYS173C, LYS247C, LYS290C, LYS30C, LYS387B, LYS400B, LYS402B, LYS53C, PHE174C, PHE362B, PHE76C, PRO129C, PRO371B, PRO373B, PRO37C, PRO411B, PRO67C, SER130C, SER164C, SER32C, SER395B, SER39C, SER48C, SER54C, SER62C, SER71C, THR31C, THR358B, THR390B, THR405B, THR410B, THR47C, TRP69C, TYR33C, TYR355B, TYR356B, TYR399B, TYR403B, TYR409B, TYR40C, VAL162C, VAL163C, VAL35C, VAL38C, VAL393B, VAL397B, VAL404B, VAL44C, VAL57C