3F5M

crystal structure of atp-bound phosphofructokinase from trypanosoma brucei

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 298
  • Norm. En. per Res.: -2.6305
• 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	-128.2874	87.2268	-742.816	-783.8766	298	70	15	30761	0	79	121
A-C	0.0	74.31	-180.117	-105.807	67	58	10	9414	0	46	46
A-D	-33.106	9.7264	-313.181	-336.5606	155	16	11	12950	0	28	42
B-C	-34.3232	9.5097	-308.494	-333.3075	155	16	11	12909	0	30	40
B-D	0.0	55.7895	-98.3718	-42.5823	52	49	4	6380	0	32	32
C-D	-124.508	82.6665	-719.822	-761.6635	295	62	15	30374	0	82	129

Interface residues

• A-B: ALA150A, ALA150B, ALA244A, ALA244B, ALA248A, ALA248B, ALA281A, ALA281B, ALA283A, ALA283B, ALA284A, ALA284B, ALA286A, ALA286B, ALA288A, ALA288B, ALA389A, ALA389B, ALA392A, ALA392B, ALA396A, ALA396B, ALA399A, ALA399B, ALA472A, ALA472B, ALA85A, ALA85B, ALA86A, ALA86B, ALA87A, ALA87B, ARG117A, ARG117B, ARG131A, ARG131B, ARG136A, ARG136B, ARG155A, ARG155B, ARG157A, ARG157B, ARG237A, ARG237B, ARG253A, ARG253B, ARG312A, ARG312B, ARG418A, ARG418B, ARG435A, ARG435B, ARG440A, ARG440B, ARG445A, ARG445B, ARG448A, ARG448B, ARG468A, ARG468B, ARG475A, ARG475B, ARG477A, ARG479A, ARG479B, ARG64A, ARG64B, ARG66A, ARG66B, ARG88A, ARG88B, ARG8B, ASN125A, ASN125B, ASN128A, ASN128B, ASN160A, ASN160B, ASN230A, ASN230B, ASN390A, ASN390B, ASN41A, ASN41B, ASN420A, ASN420B, ASN421A, ASN421B, ASN474A, ASN476A, ASN476B, ASN62A, ASN62B, ASN73A, ASN73B, ASP114A, ASP114B, ASP391A, ASP391B, ASP57A, ASP57B, ASP67B, CYS395A, CYS395B, CYS82A, CYS82B, GLN148A, GLN148B, GLN242A, GLN242B, GLN250A, GLN250B, GLN26A, GLN26B, GLN282A, GLN282B, GLN289A, GLN289B, GLN442A, GLN442B, GLN446A, GLN446B, GLU152A, GLU152B, GLU246A, GLU246B, GLU27A, GLU449A, GLU449B, GLU465A, GLU465B, GLU469A, GLU469B, GLU471A, GLU471B, GLU72A, GLU72B, GLY123A, GLY123B, GLY134A, GLY134B, GLY156A, GLY156B, HIS154A, HIS154B, HIS162A, HIS162B, HIS163A, HIS163B, HIS236A, HIS236B, HIS315A, HIS315B, HIS404A, HIS404B, HIS419A, HIS419B, ILE124A, ILE124B, ILE133A, ILE133B, ILE151A, ILE151B, ILE252A, ILE252B, ILE279A, ILE279B, ILE415A, ILE415B, ILE450A, ILE450B, ILE473A, ILE473B, ILE59A, ILE59B, LEU121A, LEU121B, LEU153A, LEU153B, LEU29A, LEU393A, LEU393B, LEU398A, LEU398B, LEU401A, LEU401B, LEU443A, LEU443B, LEU464A, LEU464B, LEU480A, LEU480B, LEU80A, LEU80B, LEU81A, LEU81B, LEU84A, LEU84B, LYS130A, LYS130B, LYS247A, LYS247B, LYS30A, LYS44A, LYS44B, LYS45A, LYS45B, MET417A, MET417B, MET60A, MET60B, PHE241A, PHE241B, PHE278A, PHE278B, PHE394A, PHE394B, PRO386B, PRO387A, PRO387B, PRO42A, PRO42B, PRO63A, PRO63B, PRO65A, PRO65B, PRO74A, PRO74B, PRO79A, PRO79B, SER118A, SER118B, SER11A, SER11B, SER147B, SER235A, SER235B, SER287A, SER287B, SER388A, SER388B, SER43A, SER43B, SER70B, SER71B, SER76A, SER76B, SER78A, SER78B, SER89B, THR10A, THR10B, THR120B, THR122A, THR122B, THR149A, THR149B, THR159A, THR159B, THR243A, THR243B, THR25A, THR397A, THR397B, THR400A, THR400B, THR451A, THR96A, THR96B, TYR127A, TYR127B, TYR256A, TYR256B, TYR422A, TYR422B, TYR58A, TYR58B, TYR61A, TYR61B, VAL126A, VAL126B, VAL129A, VAL129B, VAL132A, VAL132B, VAL245A, VAL245B, VAL249A, VAL249B, VAL285A, VAL285B, VAL447A, VAL447B, VAL75A, VAL75B, VAL77A, VAL77B, VAL9B
• A-C: ALA472A, ALA472C, ALA485A, ALA485C, ARG317A, ARG317C, ARG459A, ARG459C, ARG462A, ARG462C, ARG467A, ARG467C, ARG468A, ARG468C, ARG475A, ARG475C, ARG477A, ARG477C, ARG479A, ARG479C, ASN160A, ASN160C, ASN474A, ASN474C, ASN476A, ASN476C, ASP478A, ASP478C, GLU465A, GLU465C, GLU469A, GLU469C, GLU471A, GLU471C, GLU482A, GLU482C, GLU483A, GLU483C, HIS162A, HIS162C, HIS163A, HIS163C, HIS315A, HIS315C, HIS481A, HIS481C, ILE161A, ILE161C, ILE466A, ILE466C, ILE473A, ILE473C, LEU460A, LEU464A, LEU464C, LEU470A, LEU470C, LEU480A, LEU480C, LEU484A, LEU484C, LYS463A, LYS463C, THR159A, THR159C, TYR164A, TYR164C
• A-D: ALA248A, ALA248D, ALA251A, ALA251D, ALA254A, ALA254D, ALA255A, ALA255D, ALA257A, ALA257D, ALA259A, ALA259D, ALA262A, ALA262D, ALA340A, ALA340D, ALA384A, ALA384D, ARG136A, ARG136D, ARG173A, ARG173D, ARG253A, ARG253D, ARG317A, ARG317D, ARG383A, ARG383D, ASN113A, ASN113D, ASN263A, ASN263D, ASP370A, ASP370D, ASP377A, ASP377D, CYS109A, CYS109D, CYS385A, CYS385D, GLN148A, GLN148D, GLN176A, GLN176D, GLN250A, GLN250D, GLN289A, GLN289D, GLU258A, GLU258D, GLY106A, GLY106D, GLY107A, GLY107D, GLY138A, GLY138D, GLY146A, GLY146D, GLY165A, GLY165D, GLY166A, GLY166D, GLY170A, GLY170D, GLY174A, GLY174D, GLY265A, GLY265D, GLY267A, GLY267D, HIS163A, HIS163D, ILE108A, ILE108D, ILE168A, ILE168D, ILE252A, ILE252D, ILE376A, ILE376D, ILE382A, ILE382D, LEU112A, LEU112D, LEU169A, LEU169D, LYS145A, LYS145D, LYS247A, LYS247D, LYS345D, LYS358A, LYS358D, LYS365A, LYS365D, LYS374A, LYS374D, MET381A, MET381D, PHE137A, PHE137D, PRO369A, PRO369D, PRO378A, PRO378D, PRO386A, PRO386D, SER171A, SER171D, SER172A, SER172D, SER261A, SER261D, SER318A, SER318D, SER366A, SER366D, SER371A, SER371D, SER379A, SER379D, THR104A, THR104D, THR149A, THR149D, THR167A, THR167D, THR354A, THR354D, THR372A, THR372D, TRP140A, TRP140D, TYR164A, TYR164D, TYR256A, TYR256D, TYR264A, TYR264D, TYR375A, TYR375D, TYR380A, TYR380D, VAL249A, VAL249D, VAL260A, VAL260D, VAL268A, VAL268D, VAL269A, VAL269D, VAL351A, VAL351D, VAL373A, VAL373D
• B-C: ALA248B, ALA248C, ALA251B, ALA251C, ALA254B, ALA254C, ALA255B, ALA255C, ALA257B, ALA257C, ALA259B, ALA259C, ALA262B, ALA262C, ALA340B, ALA340C, ALA384B, ALA384C, ARG136B, ARG136C, ARG173B, ARG173C, ARG253B, ARG253C, ARG317B, ARG317C, ARG383B, ARG383C, ASN113B, ASN113C, ASN263B, ASN263C, ASP370B, ASP370C, ASP377B, ASP377C, CYS109B, CYS109C, CYS385B, CYS385C, GLN148B, GLN148C, GLN176B, GLN176C, GLN250B, GLN250C, GLN289B, GLN289C, GLU258B, GLU258C, GLY106B, GLY106C, GLY107B, GLY107C, GLY138B, GLY138C, GLY146B, GLY146C, GLY165B, GLY165C, GLY166B, GLY166C, GLY170B, GLY170C, GLY174B, GLY174C, GLY265B, GLY265C, GLY267B, GLY267C, HIS163B, HIS163C, ILE108B, ILE108C, ILE168B, ILE168C, ILE252B, ILE252C, ILE376B, ILE376C, ILE382B, ILE382C, LEU112B, LEU112C, LEU169B, LEU169C, LYS145B, LYS145C, LYS247B, LYS247C, LYS345B, LYS358B, LYS358C, LYS365B, LYS365C, LYS374B, LYS374C, MET381B, MET381C, PHE137B, PHE137C, PRO369B, PRO369C, PRO378B, PRO378C, PRO386B, PRO386C, SER171B, SER171C, SER172B, SER172C, SER261B, SER261C, SER318B, SER318C, SER366B, SER366C, SER371B, SER371C, SER379B, SER379C, THR104B, THR104C, THR149B, THR149C, THR167B, THR167C, THR354B, THR354C, THR372B, THR372C, TRP140B, TRP140C, TYR164B, TYR164C, TYR256B, TYR256C, TYR264B, TYR264C, TYR375B, TYR375C, TYR380B, TYR380C, VAL249B, VAL249C, VAL260B, VAL260C, VAL268B, VAL268C, VAL269B, VAL269C, VAL351B, VAL351C, VAL373B, VAL373C
• B-D: ALA472B, ALA472D, ARG317B, ARG317D, ARG462D, ARG467B, ARG467D, ARG475B, ARG475D, ARG477B, ARG477D, ARG479B, ARG479D, ASN160B, ASN160D, ASN474B, ASN474D, ASN476B, ASN476D, ASP478B, ASP478D, GLU465D, GLU469B, GLU469D, GLU471B, GLU471D, GLU482B, GLU482D, GLU483B, HIS162B, HIS162D, HIS163B, HIS163D, HIS481B, HIS481D, ILE161B, ILE161D, ILE168B, ILE168D, ILE466B, ILE466D, ILE473B, ILE473D, LEU470B, LEU470D, LEU480B, LEU480D, PRO386D, THR159B, THR159D, TYR164B, TYR164D
• C-D: ALA150C, ALA150D, ALA244C, ALA244D, ALA248C, ALA248D, ALA281C, ALA281D, ALA283C, ALA283D, ALA284C, ALA284D, ALA286C, ALA286D, ALA288C, ALA288D, ALA389C, ALA389D, ALA392C, ALA392D, ALA396C, ALA396D, ALA399C, ALA399D, ALA472C, ALA472D, ALA85C, ALA85D, ALA86C, ALA86D, ALA87C, ALA87D, ARG117C, ARG117D, ARG131C, ARG131D, ARG136C, ARG136D, ARG155C, ARG155D, ARG157C, ARG157D, ARG237C, ARG237D, ARG253C, ARG253D, ARG312C, ARG312D, ARG418C, ARG418D, ARG435C, ARG435D, ARG440C, ARG440D, ARG445C, ARG445D, ARG448C, ARG448D, ARG468C, ARG468D, ARG475C, ARG475D, ARG479C, ARG479D, ARG64C, ARG64D, ARG66C, ARG66D, ARG88C, ARG88D, ARG8C, ARG8D, ASN125C, ASN125D, ASN128C, ASN128D, ASN160C, ASN160D, ASN230C, ASN230D, ASN390C, ASN390D, ASN41C, ASN41D, ASN420C, ASN420D, ASN421C, ASN421D, ASN476C, ASN476D, ASN62C, ASN62D, ASN73C, ASN73D, ASP114C, ASP114D, ASP391C, ASP391D, ASP453C, ASP57C, ASP57D, ASP67C, ASP67D, CYS395C, CYS395D, CYS82C, CYS82D, GLN148C, GLN148D, GLN242C, GLN242D, GLN250C, GLN250D, GLN26C, GLN26D, GLN282C, GLN282D, GLN289C, GLN289D, GLN442C, GLN442D, GLN446C, GLN446D, GLU152C, GLU152D, GLU246C, GLU246D, GLU449C, GLU449D, GLU465C, GLU465D, GLU469C, GLU469D, GLU471C, GLU471D, GLU72C, GLU72D, GLY123C, GLY123D, GLY134C, GLY134D, GLY156C, GLY156D, GLY240C, HIS154C, HIS154D, HIS162C, HIS162D, HIS163C, HIS163D, HIS236C, HIS236D, HIS315C, HIS315D, HIS404C, HIS404D, HIS419C, HIS419D, ILE124C, ILE124D, ILE133C, ILE133D, ILE151C, ILE151D, ILE252C, ILE252D, ILE279C, ILE279D, ILE415C, ILE415D, ILE450C, ILE450D, ILE473C, ILE473D, ILE59C, ILE59D, LEU121C, LEU121D, LEU153C, LEU153D, LEU393C, LEU393D, LEU398C, LEU398D, LEU401C, LEU401D, LEU443C, LEU443D, LEU464C, LEU464D, LEU480C, LEU480D, LEU80C, LEU80D, LEU81C, LEU81D, LEU84C, LEU84D, LYS130C, LYS130D, LYS247C, LYS247D, LYS44C, LYS44D, LYS45C, LYS45D, MET417C, MET417D, MET60C, MET60D, PHE241C, PHE241D, PHE278C, PHE278D, PHE394C, PHE394D, PRO386D, PRO387C, PRO387D, PRO42C, PRO42D, PRO63C, PRO63D, PRO65C, PRO65D, PRO74C, PRO74D, PRO79C, PRO79D, SER118C, SER118D, SER11C, SER11D, SER147D, SER235C, SER235D, SER287C, SER287D, SER388C, SER388D, SER43C, SER43D, SER76C, SER76D, SER78C, SER78D, SER89D, THR10C, THR10D, THR120D, THR122C, THR122D, THR149C, THR149D, THR159C, THR159D, THR243C, THR243D, THR397C, THR397D, THR400C, THR400D, THR451C, THR96C, THR96D, TYR127C, TYR127D, TYR256C, TYR256D, TYR422C, TYR422D, TYR58C, TYR58D, TYR61C, TYR61D, VAL126C, VAL126D, VAL129C, VAL129D, VAL132C, VAL132D, VAL245C, VAL245D, VAL249C, VAL249D, VAL285C, VAL285D, VAL447C, VAL447D, VAL75C, VAL75D, VAL77C, VAL77D, VAL9C, VAL9D