3TDH

structure of the regulatory fragment of sccharomyces cerevisiae ampk in complex with amp

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 172
  • Norm. En. per Res.: -5.1978
• 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	-154.6301	-22.1023	-717.283	-894.0154	172	30	20	27341	2	23	26
A-C	-119.8824	-6.4864	-519.562	-645.9308	172	22	7	19490	0	28	20
B-C	-144.2649	-44.6784	-327.511	-516.4543	103	23	14	12545	2	17	17

Interface residues

• A-B: ALA311B, ALA357B, ALA394B, ALA525A, ALA531A, ALA534A, ALA612A, ALA627A, 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, HIS388B, 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: ALA260C, ALA290C, ALA480A, ALA484A, ALA489A, ALA490A, ALA612A, ARG158C, ARG263C, ARG264C, ARG294C, ARG40C, ARG479A, ARG74C, ASN234C, ASN251C, ASN277C, ASN286C, ASN481A, ASN55C, ASN60C, ASP151C, ASP153C, ASP240C, ASP252C, ASP266C, ASP267C, ASP278C, ASP285C, ASP299C, ASP300C, ASP45C, ASP564A, ASP587A, ASP69C, CYS274C, GLN152C, GLN476A, GLN485A, GLN59C, GLU154C, GLU155C, GLU159C, GLU237C, GLU259C, GLU269C, GLU590A, GLY243C, GLY247C, GLY258C, GLY270C, GLY302C, GLY486A, GLY588A, HIS127C, HIS157C, HIS478A, HIS617A, ILE160C, ILE188C, ILE225C, ILE226C, ILE233C, ILE245C, ILE283C, ILE287C, ILE42C, ILE469A, ILE477A, ILE493A, ILE562A, ILE62C, LEU232C, LEU242C, LEU244C, LEU255C, LEU261C, LEU280C, LEU304C, LEU308C, LEU41C, LEU44C, LEU470A, LEU474A, LEU483A, LEU496A, LEU54C, LEU565A, LEU57C, LEU58C, LEU616A, LEU618A, LYS246C, LYS276C, LYS279C, LYS492A, LYS499A, LYS500A, LYS502A, LYS567A, LYS621A, LYS71C, MET204C, MET262C, MET284C, MET482A, MET566A, PHE268C, PHE295C, PHE296C, PHE586A, PHE610A, PHE615A, PHE75C, PRO128C, PRO224C, PRO471A, PRO475A, PRO488A, PRO495A, PRO563A, PRO614A, PRO66C, SER129C, SER256C, SER265C, SER281C, SER465A, SER468A, SER473A, SER47C, SER487A, SER491A, SER494A, SER501A, SER608A, SER611A, SER61C, SER70C, SER73C, THR156C, THR205C, THR273C, THR275C, THR282C, THR466A, THR472A, THR498A, THR503A, THR609A, THR620A, THR72C, TRP505A, TRP589A, TRP68C, TYR231C, TYR272C, TYR32C, TYR550A, TYR613A, VAL161C, VAL162C, VAL235C, VAL257C, VAL271C, VAL292C, VAL297C, VAL298C, VAL43C, VAL467A, VAL497A, VAL56C
• B-C: ALA357B, ALA369B, ALA394B, ALA65C, ARG130C, ARG169C, ARG291C, ARG398B, ARG40C, ASN353B, ASN363B, ASN366B, ASN389B, ASN55C, ASN60C, ASP151C, ASP153C, ASP33C, ASP360B, ASP45C, ASP69C, CYS392B, GLN105C, GLN152C, GLN359B, GLN361B, GLN401B, GLN406B, GLN59C, GLU154C, GLU364B, HIS127C, HIS388B, ILE150C, ILE160C, ILE372B, ILE396B, ILE407B, ILE412B, ILE42C, ILE62C, LEU106C, LEU149C, LEU176C, LEU352B, LEU35C, LEU370B, LEU391B, LEU408B, LEU41C, LEU44C, LEU48C, LEU49C, LEU57C, LEU67C, LYS172C, LYS29C, LYS387B, LYS400B, LYS402B, LYS51C, LYS52C, PHE173C, PHE362B, PHE75C, PRO128C, PRO36C, PRO371B, PRO373B, PRO411B, PRO66C, SER129C, SER163C, SER31C, SER38C, SER395B, SER47C, SER53C, SER61C, SER70C, THR30C, THR358B, THR390B, THR405B, THR410B, THR46C, TRP68C, TYR32C, TYR355B, TYR356B, TYR399B, TYR39C, TYR403B, TYR409B, VAL161C, VAL162C, VAL34C, VAL37C, VAL393B, VAL397B, VAL404B, VAL43C, VAL56C