2QFW

crystal structure of saccharomyces cerevesiae mitochondrial nadp(+)- dependent isocitrate dehydrogenase in complex with isocitrate

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 273
  • Norm. En. per Res.: -4.6843
• Hub Node: A(1)

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	-303.9865	62.689	-1037.53	-1278.8275	273	43	50	41913	4	91	91
B-C	-21.1596	20.798	-125.645	-126.0066	88	3	3	6652	4	76	75
C-D	-289.8458	50.2972	-1014.93	-1254.4786	269	59	46	41295	3	90	92
D-E	-16.5492	20.4684	-118.667	-114.7479	88	1	3	6151	5	70	68
E-F	-270.2401	40.423	-1010.41	-1240.2271	266	42	50	41553	6	92	94

Interface residues

• A-B: ALA142A, ALA142B, ALA165A, ALA165B, ALA181A, ALA181B, ALA183A, ALA183B, ALA258A, ALA258B, ALA284A, ALA284B, ALA310A, ALA382A, ALA382B, ALA82A, ARG101A, ARG101B, ARG110A, ARG110B, ARG120A, ARG120B, ARG124A, ARG124B, ARG133A, ARG133B, ARG224A, ARG224B, ARG316A, ASN102A, ASN102B, ASN186A, ASN186B, ASN215A, ASN215B, ASN273A, ASN273B, ASN97A, ASN97B, ASP138A, ASP138B, ASP144A, ASP144B, ASP161A, ASP161B, ASP174A, ASP174B, ASP188A, ASP188B, ASP222A, ASP222B, ASP227A, ASP227B, ASP254A, ASP254B, ASP255A, ASP255B, ASP275A, ASP275B, ASP277A, ASP277B, ASP281A, ASP281B, ASP378A, ASP378B, ASP80A, ASP80B, GLN139A, GLN139B, GLN166A, GLN166B, GLN168A, GLN168B, GLN259A, GLN259B, GLN279A, GLN279B, GLN285A, GLN285B, GLU154A, GLU154B, GLU189A, GLU189B, GLU192A, GLU81A, GLU81B, GLY137A, GLY137B, GLY149A, GLY149B, GLY151A, GLY151B, GLY177A, GLY177B, GLY179A, GLY179B, GLY223A, GLY223B, GLY286A, GLY286B, GLY288A, GLY288B, GLY291A, GLY291B, GLY384A, GLY98A, GLY98B, HIS134A, HIS134B, HIS136A, HIS136B, HIS311A, ILE147A, ILE147B, ILE191A, ILE191B, ILE217A, ILE217B, ILE228A, ILE228B, ILE253A, ILE253B, ILE261A, ILE261B, ILE282A, ILE282B, LEU121A, LEU121B, LEU146A, LEU146B, LEU153A, LEU153B, LEU155A, LEU155B, LEU170A, LEU170B, LEU218A, LEU218B, LEU252A, LEU252B, LEU271A, LEU271B, LEU290A, LEU290B, LEU381A, LEU381B, LYS141A, LYS141B, LYS158A, LYS158B, LYS171A, LYS171B, LYS176A, LYS176B, LYS214A, LYS214B, LYS219A, LYS219B, LYS220A, LYS220B, LYS226A, LYS226B, LYS262A, LYS262B, LYS264A, LYS272A, LYS272B, LYS91A, LYS91B, LYS94A, LYS94B, MET182A, MET182B, MET184A, MET184B, MET256A, MET256B, MET260A, MET260B, MET269A, MET269B, MET92A, MET92B, PHE225A, PHE225B, PHE287A, PHE287B, PRO119A, PRO119B, PRO123A, PRO123B, PRO148A, PRO148B, PRO150A, PRO150B, PRO159A, PRO159B, PRO162A, PRO167A, PRO167B, PRO79A, PRO79B, PRO96A, SER152A, SER152B, SER160A, SER160B, SER178A, SER178B, SER190A, SER190B, SER212A, SER212B, SER263A, SER263B, SER280A, SER280B, SER289A, SER289B, SER95A, SER95B, THR143A, THR143B, THR145A, THR145B, THR164A, THR164B, THR169A, THR169B, THR187A, THR187B, THR213A, THR213B, THR216A, THR216B, THR78A, THR78B, THR99A, TRP125A, TRP125B, TRP93A, TRP93B, TYR140A, TYR140B, TYR157A, TYR157B, TYR173A, TYR173B, TYR175A, TYR175B, TYR185A, TYR185B, TYR221A, TYR221B, TYR274A, TYR274B, VAL122A, VAL122B, VAL156A, VAL156B, VAL172A, VAL172B, VAL180A, VAL180B, VAL257A, VAL257B, VAL278A, VAL278B, VAL283A, VAL283B, VAL314A, VAL84A, VAL84B
• B-C: ALA52B, ALA52C, ALA61C, ALA64B, ALA64C, ARG21B, ARG21C, ARG50B, ARG50C, ASN88C, ASP25B, ASP25C, ASP37B, ASP37C, ASP39B, ASP39C, ASP44B, ASP44C, ASP51B, ASP51C, ASP55B, ASP55C, ASP60B, ASP60C, GLN322B, GLN322C, GLN59C, GLU13C, GLU48B, GLU48C, GLU63C, HIS90B, ILE32B, ILE32C, ILE57B, ILE57C, LEU31C, LEU33B, LEU33C, LEU36B, LEU36C, LEU40B, LEU40C, LYS28B, LYS28C, LYS29B, LYS29C, LYS30B, LYS30C, LYS41B, LYS41C, LYS4B, LYS4C, LYS56B, LYS56C, LYS67B, LYS67C, LYS6B, LYS6C, PHE87C, PRO10B, PRO10C, PRO34B, PRO34C, SER46B, SER46C, SER49B, SER49C, SER54B, SER54C, THR53B, THR53C, TRP93B, TRP93C, TYR35B, TYR35C, TYR42B, TYR42C, TYR43B, TYR43C, TYR68B, TYR68C, VAL38B, VAL38C, VAL47B, VAL47C, VAL7B, VAL7C
• C-D: ALA142C, ALA142D, ALA165C, ALA165D, ALA181C, ALA181D, ALA183C, ALA183D, ALA258C, ALA258D, ALA284C, ALA284D, ALA382C, ALA382D, ALA82C, ARG101C, ARG101D, ARG110C, ARG110D, ARG120C, ARG120D, ARG124C, ARG124D, ARG133C, ARG133D, ARG224C, ARG224D, ARG83C, ASN102C, ASN102D, ASN186C, ASN186D, ASN215C, ASN215D, ASN273C, ASN273D, ASN97C, ASP138C, ASP138D, ASP144C, ASP144D, ASP161C, ASP161D, ASP174C, ASP174D, ASP188C, ASP188D, ASP222C, ASP222D, ASP227C, ASP227D, ASP254C, ASP254D, ASP255C, ASP255D, ASP275C, ASP275D, ASP277C, ASP277D, ASP281C, ASP281D, ASP378D, ASP80C, ASP80D, GLN139C, GLN139D, GLN166C, GLN166D, GLN168C, GLN168D, GLN259C, GLN259D, GLN279C, GLN279D, GLN285C, GLN285D, GLU154C, GLU154D, GLU189C, GLU189D, GLU192C, GLU192D, GLU81C, GLU81D, GLY137C, GLY137D, GLY149C, GLY149D, GLY151C, GLY151D, GLY177C, GLY177D, GLY179C, GLY179D, GLY223C, GLY223D, GLY276C, GLY286C, GLY286D, GLY288C, GLY288D, GLY291C, GLY312C, GLY384D, GLY98C, GLY98D, HIS134C, HIS134D, HIS136C, HIS136D, HIS311C, ILE147C, ILE147D, ILE191C, ILE191D, ILE217C, ILE217D, ILE228C, ILE228D, ILE253C, ILE253D, ILE261C, ILE261D, ILE282C, ILE282D, LEU121C, LEU121D, LEU146C, LEU146D, LEU153C, LEU153D, LEU155C, LEU155D, LEU170C, LEU170D, LEU218C, LEU218D, LEU252C, LEU252D, LEU271C, LEU271D, LEU290C, LEU290D, LEU381D, LYS141C, LYS141D, LYS158C, LYS158D, LYS171C, LYS171D, LYS176C, LYS176D, LYS214C, LYS214D, LYS219C, LYS219D, LYS220C, LYS220D, LYS226C, LYS226D, LYS262C, LYS262D, LYS264C, LYS264D, LYS272C, LYS272D, LYS91C, LYS91D, LYS94C, LYS94D, MET182C, MET182D, MET184C, MET184D, MET256C, MET256D, MET260C, MET260D, MET269C, MET269D, MET92C, MET92D, PHE225C, PHE225D, PHE287C, PHE287D, PRO119C, PRO119D, PRO123C, PRO123D, PRO148C, PRO148D, PRO150C, PRO150D, PRO159C, PRO159D, PRO162C, PRO167C, PRO167D, PRO79C, PRO79D, PRO96C, SER152C, SER152D, SER160C, SER160D, SER178C, SER178D, SER190C, SER190D, SER212C, SER212D, SER263C, SER263D, SER280C, SER280D, SER289C, SER289D, SER95C, SER95D, THR143C, THR143D, THR145C, THR145D, THR164C, THR164D, THR169C, THR169D, THR187C, THR187D, THR213C, THR213D, THR216C, THR216D, THR78C, THR78D, TRP125C, TRP125D, TRP93C, TRP93D, TYR140C, TYR140D, TYR157C, TYR157D, TYR173C, TYR173D, TYR175C, TYR175D, TYR185C, TYR185D, TYR221C, TYR221D, TYR274C, TYR274D, VAL122C, VAL122D, VAL156C, VAL156D, VAL172C, VAL172D, VAL180C, VAL180D, VAL257C, VAL257D, VAL278C, VAL278D, VAL283C, VAL283D, VAL84C
• D-E: ALA52D, ALA52E, ALA64D, ALA64E, ARG21D, ARG21E, ARG50D, ARG50E, ASN88E, ASP25D, ASP25E, ASP37D, ASP37E, ASP39D, ASP39E, ASP44D, ASP44E, ASP51D, ASP51E, ASP55D, ASP55E, ASP60D, ASP60E, GLN322D, GLN322E, GLN406E, GLU13D, GLU48D, GLU48E, HIS90D, HIS90E, ILE32D, ILE32E, ILE57D, ILE57E, LEU31D, LEU33D, LEU33E, LEU36D, LEU36E, LEU40D, LEU40E, LYS26D, LYS28D, LYS28E, LYS29D, LYS29E, LYS30D, LYS30E, LYS41D, LYS41E, LYS4D, LYS4E, LYS56D, LYS56E, LYS67D, LYS67E, LYS6D, LYS6E, LYS91E, PHE2D, PRO10D, PRO10E, PRO34D, PRO34E, SER46D, SER46E, SER49D, SER49E, SER54D, SER54E, THR53D, THR53E, TRP93E, TYR321E, TYR35D, TYR35E, TYR42D, TYR42E, TYR43D, TYR43E, TYR68D, TYR68E, VAL38D, VAL38E, VAL47D, VAL47E, VAL7E
• E-F: ALA142E, ALA142F, ALA165E, ALA165F, ALA181E, ALA181F, ALA183E, ALA183F, ALA258E, ALA258F, ALA284E, ALA284F, ALA382E, ALA382F, ALA82E, ARG101E, ARG101F, ARG110E, ARG110F, ARG120E, ARG120F, ARG124E, ARG124F, ARG133E, ARG133F, ARG224E, ARG224F, ASN102E, ASN102F, ASN186E, ASN186F, ASN215E, ASN215F, ASN273E, ASN273F, ASN97E, ASN97F, ASP138E, ASP138F, ASP144E, ASP144F, ASP161E, ASP161F, ASP174E, ASP174F, ASP188E, ASP188F, ASP222E, ASP222F, ASP227E, ASP227F, ASP254E, ASP254F, ASP255E, ASP255F, ASP275E, ASP275F, ASP277E, ASP277F, ASP281E, ASP281F, ASP378E, ASP378F, ASP80E, ASP80F, GLN139E, GLN139F, GLN166E, GLN166F, GLN168E, GLN168F, GLN259E, GLN259F, GLN279E, GLN279F, GLN285E, GLN285F, GLU154E, GLU154F, GLU189E, GLU189F, GLU192F, GLU81E, GLU81F, GLY137E, GLY137F, GLY149E, GLY149F, GLY151E, GLY151F, GLY177E, GLY177F, GLY179E, GLY179F, GLY223E, GLY223F, GLY276E, GLY286E, GLY286F, GLY288E, GLY288F, GLY291F, GLY98E, GLY98F, HIS134E, HIS134F, HIS136E, HIS136F, ILE147E, ILE147F, ILE191E, ILE191F, ILE217E, ILE217F, ILE228E, ILE228F, ILE253E, ILE253F, ILE261E, ILE261F, ILE282E, ILE282F, LEU121E, LEU121F, LEU146E, LEU146F, LEU153E, LEU153F, LEU155E, LEU155F, LEU170E, LEU170F, LEU218E, LEU218F, LEU252E, LEU252F, LEU271E, LEU271F, LEU290E, LEU290F, LEU381E, LEU381F, LYS141E, LYS141F, LYS158E, LYS158F, LYS171E, LYS171F, LYS176E, LYS176F, LYS214E, LYS214F, LYS219E, LYS219F, LYS220E, LYS220F, LYS226E, LYS226F, LYS262E, LYS262F, LYS264E, LYS272E, LYS272F, LYS91E, LYS91F, LYS94E, LYS94F, MET182E, MET182F, MET184E, MET184F, MET256E, MET256F, MET260E, MET260F, MET269E, MET269F, MET92E, MET92F, PHE225E, PHE225F, PHE287E, PHE287F, PRO119F, PRO123E, PRO123F, PRO148E, PRO148F, PRO150E, PRO150F, PRO159E, PRO159F, PRO162E, PRO167E, PRO167F, PRO79E, PRO79F, PRO96E, SER152E, SER152F, SER160E, SER160F, SER178E, SER178F, SER190E, SER190F, SER212E, SER212F, SER263E, SER263F, SER280E, SER280F, SER289E, SER289F, SER95E, SER95F, THR143E, THR143F, THR145E, THR145F, THR164E, THR164F, THR169E, THR169F, THR187E, THR187F, THR213E, THR213F, THR216E, THR216F, THR78E, THR78F, TRP125E, TRP125F, TRP93E, TRP93F, TYR140E, TYR140F, TYR157E, TYR157F, TYR173E, TYR173F, TYR175E, TYR175F, TYR185E, TYR185F, TYR221E, TYR221F, TYR274E, TYR274F, VAL122E, VAL122F, VAL156E, VAL156F, VAL172E, VAL172F, VAL180E, VAL180F, VAL257E, VAL257F, VAL278E, VAL278F, VAL283E, VAL283F, VAL84E, VAL84F