3BLV

yeast isocitrate dehydrogenase with citrate bound in the regulatory subunits

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 186
  • Norm. En. per Res.: -3.5862
• Hub Node: C(5)

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	-132.2261	5.6541	-526.19	-652.762	185	33	24	23476	1	54	52
A-C	-13.4119	9.4923	-32.9886	-36.9082	24	2	3	1393	4	2	10
A-D	0.0	4.2363	-66.6873	-62.451	43	3	1	3111	0	10	10
A-E	-84.1514	-14.5153	-201.564	-300.2307	105	24	2	8517	6	44	48
B-C	0.0	3.5462	-63.8695	-60.3233	42	1	3	2995	0	10	9
B-D	-8.2318	0.0	-27.3463	-35.5781	22	1	4	1361	0	2	6
B-E	0.0	0.0	-6.4576	-6.4576	8	0	1	381	0	0	0
C-D	-136.2754	7.7736	-538.537	-667.0388	186	40	25	23802	1	54	54
C-E	0.0	0.0	-9.9437	-9.9437	18	0	0	695	0	0	0
C-F	0.0	0.0	-6.6527	-6.6527	10	0	1	418	0	0	0
C-G	-80.5344	-31.6066	-209.507	-321.648	102	17	2	8785	8	45	48
C-H	0.0	0.0	-7.0374	-7.0374	7	0	1	442	0	0	0
D-E	0.0	0.0	-4.1894	-4.1894	12	4	1	646	0	0	0
E-F	-87.4151	2.9267	-501.007	-585.4954	190	34	25	23155	1	52	53
E-G	-4.4754	10.5566	-29.5894	-23.5082	22	1	3	1334	4	2	9
E-H	0.0	2.0052	-48.414	-46.4088	42	9	3	3148	0	9	8
F-G	0.0	1.9483	-78.4922	-76.5439	47	9	3	3348	0	10	8
F-H	-9.4043	0.0	-23.7133	-33.1176	22	3	4	1371	0	2	6
G-H	-124.6176	8.9798	-524.386	-640.0238	186	41	26	23653	1	53	53

Interface residues

• A-B: ALA164B, ALA184A, ALA196B, ALA219A, ALA223A, ALA225A, ALA248A, ALA249A, ALA259B, ALA85A, ARG104B, ARG114B, ARG119A, ARG129A, ARG135B, ARG156A, ARG162B, ARG194B, ARG274A, ARG97B, ARG98A, ASN128B, ASN185A, ASN202B, ASN218A, ASN223B, ASN231B, ASN244B, ASN245A, ASN254B, ASN94A, ASP163B, ASP191A, ASP197B, ASP217A, ASP222B, ASP248B, ASP252B, ASP86A, CYS150B, GLN155B, GLN193B, GLN222A, GLN87A, GLU127B, GLU133A, GLU135A, GLU139B, GLU140A, GLU141B, GLU142A, GLU146B, GLU149A, GLY134A, GLY138A, GLY140B, GLY144B, GLY146A, GLY152B, GLY190A, GLY192A, GLY198B, GLY244A, GLY247A, GLY247B, GLY252A, GLY253A, GLY255A, GLY256B, GLY260B, GLY89A, GLY91A, HIS141A, HIS147B, HIS182A, HIS188B, HIS275A, HIS82A, HIS90A, ILE120A, ILE145B, ILE148B, ILE157B, ILE160B, ILE186A, ILE192B, ILE197A, ILE215A, ILE221B, ILE242A, ILE246A, ILE249B, ILE251A, LEU101B, LEU139A, LEU151A, LEU159B, LEU189A, LEU193A, LEU195B, LEU199B, LEU220B, LEU226B, LEU243A, LEU245B, LEU250A, LEU250B, LEU253B, LEU257B, LEU262B, LEU93A, LYS152A, LYS158A, LYS158B, LYS183A, LYS188A, LYS189B, LYS205B, LYS226A, LYS227B, LYS99A, PHE136A, PHE194A, PHE200B, PRO121A, PRO145A, PRO151B, PRO157A, PRO227A, PRO232B, PRO254A, PRO84A, SER137A, SER143A, SER143B, SER150A, SER156B, SER165B, SER190B, SER220A, SER224B, SER233B, SER237A, SER251B, SER255B, SER258B, SER261B, SER273A, SER92A, SER98B, THR118A, THR124B, THR125B, THR155A, THR159A, THR161B, THR191B, THR218B, THR230B, THR241A, THR83A, THR88A, TYR126B, TYR142B, TYR239A, TYR246B, VAL129B, VAL144A, VAL147A, VAL148A, VAL149B, VAL153A, VAL153B, VAL154B, VAL181A, VAL187B, VAL201B, VAL203B, VAL216A, VAL224A, VAL225B, VAL228B, VAL229B, VAL276A, VAL95A
• A-C: GLU142A, GLU142C, GLU149A, GLU149C, GLY146A, GLY146C, HIS141A, HIS141C, LEU139A, LEU139C, LEU151A, LEU151C, LEU189A, LEU189C, PRO145A, PRO145C, SER143A, SER143C, VAL144A, VAL144C, VAL147A, VAL147C, VAL148A, VAL148C
• A-D: ALA164D, ARG156A, ARG162D, ASN64D, ASP102A, ASP163D, CYS150D, GLN155D, GLU133A, GLU139D, GLU140A, GLU142A, GLU146D, GLU149A, GLY138A, GLY144D, HIS141A, HIS147D, ILE145D, ILE148D, ILE157D, ILE160D, LEU139A, LEU151A, LEU159D, LYS152A, LYS158A, PRO145A, PRO151D, PRO157A, SER137A, SER143A, SER143D, SER150A, THR138D, THR155A, THR161D, THR88A, VAL144A, VAL147A, VAL149D, VAL153A, VAL153D
• A-E: ALA105A, ALA163A, ALA166A, ALA1E, ALA267A, ALA3E, ALA42E, ALA4E, ALA6E, ARG156A, ARG161A, ARG164A, ARG17E, ARG264A, ARG310E, ARG72E, ARG8E, ASN261A, ASN300A, ASN305A, ASN44E, ASN73E, ASP102A, ASP168A, ASP208A, ASP265A, ASP48E, GLN203A, GLN5E, GLU130A, GLU133A, GLU160A, GLU200A, GLU205A, GLU306A, GLU41E, GLU43E, GLU50E, GLU65E, GLU68E, GLU7E, GLY15A, GLY15E, GLY16A, GLY16E, GLY263A, GLY303A, HIS301A, ILE103A, ILE162A, ILE197A, ILE201A, ILE343E, ILE45E, ILE47E, ILE52E, ILE75A, LEU10E, LEU299A, LEU302A, LEU302E, LEU304A, LEU346E, LYS12E, LYS13E, LYS158A, LYS171A, LYS172A, LYS204A, LYS71E, LYS74A, LYS74E, PHE165A, PHE167A, PHE169A, PHE18A, PHE18E, PHE262A, PHE269A, PRO11E, PRO157A, PRO207A, PRO46A, PRO46E, SER347E, SER69E, THR132A, THR155A, THR159A, THR19E, THR21E, THR2E, THR348E, THR51E, THR9E, TRP49E, TYR104A, TYR14A, TYR14E, TYR173A, TYR206A, TYR266A, TYR307E, TYR64E, VAL268A
• B-C: ALA164B, ARG156C, ARG162B, ASN64B, ASP163B, CYS150B, GLN155B, GLU133C, GLU139B, GLU140C, GLU142C, GLU146B, GLU149C, GLY138C, GLY144B, HIS141C, HIS147B, ILE145B, ILE148B, ILE157B, ILE160B, LEU139C, LEU151C, LEU159B, LYS152C, LYS158C, PRO145C, PRO151B, PRO157C, SER137C, SER143B, SER143C, SER150C, THR138B, THR155C, THR161B, THR88C, VAL144C, VAL147C, VAL149B, VAL153B, VAL153C
• B-D: CYS150B, CYS150D, GLN155B, GLN155D, GLY152B, GLY152D, HIS147B, HIS147D, ILE148B, ILE148D, ILE157B, ILE157D, LEU195B, LEU195D, PRO151B, PRO151D, VAL149B, VAL149D, VAL153B, VAL153D, VAL154B, VAL154D
• B-E: ALA1E, CYS150B, GLN5E, GLY152B, PRO151B, THR2E, VAL149B, VAL153B
• C-D: ALA164D, ALA184C, ALA196D, ALA219C, ALA223C, ALA225C, ALA248C, ALA249C, ALA259D, ALA85C, ARG104D, ARG114D, ARG119C, ARG129C, ARG135D, ARG156C, ARG162D, ARG194D, ARG274C, ARG97D, ARG98C, ASN128D, ASN185C, ASN202D, ASN218C, ASN223D, ASN231D, ASN244D, ASN245C, ASN254D, ASN94C, ASP163D, ASP191C, ASP197D, ASP217C, ASP222D, ASP248D, ASP252D, ASP86C, CYS150D, GLN155D, GLN193D, GLN222C, GLN87C, GLU127D, GLU133C, GLU135C, GLU139D, GLU140C, GLU141D, GLU142C, GLU146D, GLU149C, GLY134C, GLY138C, GLY140D, GLY144D, GLY146C, GLY152D, GLY190C, GLY192C, GLY198D, GLY244C, GLY247C, GLY247D, GLY252C, GLY253C, GLY255C, GLY256D, GLY260D, GLY89C, GLY91C, HIS141C, HIS147D, HIS182C, HIS188D, HIS275C, HIS82C, HIS90C, HIS96D, ILE120C, ILE145D, ILE148D, ILE157D, ILE160D, ILE186C, ILE192D, ILE197C, ILE215C, ILE221D, ILE242C, ILE246C, ILE249D, ILE251C, LEU101D, LEU139C, LEU151C, LEU159D, LEU189C, LEU193C, LEU195D, LEU199D, LEU220D, LEU226D, LEU243C, LEU245D, LEU250C, LEU250D, LEU253D, LEU257D, LEU262D, LEU93C, LYS152C, LYS158C, LYS158D, LYS183C, LYS188C, LYS189D, LYS205D, LYS226C, LYS227D, LYS99C, PHE136C, PHE194C, PHE200D, PRO121C, PRO145C, PRO151D, PRO157C, PRO227C, PRO232D, PRO254C, PRO84C, SER137C, SER143C, SER143D, SER150C, SER156D, SER165D, SER190D, SER220C, SER224D, SER233D, SER237C, SER251D, SER255D, SER258D, SER261D, SER273C, SER92C, SER98D, THR118C, THR124D, THR125D, THR155C, THR159C, THR161D, THR191D, THR218D, THR230D, THR241C, THR83C, THR88C, TYR126D, TYR142D, TYR239C, TYR246D, VAL129D, VAL144C, VAL147C, VAL148C, VAL149D, VAL153C, VAL153D, VAL154D, VAL181C, VAL187D, VAL201D, VAL203D, VAL216C, VAL224C, VAL225D, VAL228D, VAL229D, VAL276C, VAL95C
• C-E: ALA1C, ALA1E, ALA3C, ALA3E, ARG156C, ARG156E, GLU133C, GLU133E, LYS158C, LYS158E, PRO157C, PRO157E, THR155C, THR155E, THR2C, THR2E, VAL153C, VAL153E
• C-F: ALA1C, ALA3C, ALA4C, CYS150F, GLN5C, GLY152F, PRO151F, THR2C, VAL149F, VAL153F
• C-G: ALA105G, ALA163G, ALA166G, ALA1C, ALA267G, ALA3C, ALA42C, ALA4C, ALA6C, ARG156G, ARG161G, ARG164G, ARG17C, ARG264G, ARG310C, ARG72C, ARG8C, ASN261G, ASN300G, ASN305G, ASN44C, ASN73C, ASP102G, ASP168G, ASP208G, ASP265G, ASP48C, GLN5C, GLU130G, GLU133G, GLU160G, GLU200G, GLU205G, GLU306G, GLU41C, GLU43C, GLU50C, GLU65C, GLU68C, GLU7C, GLY15C, GLY15G, GLY16C, GLY16G, GLY263G, GLY303G, HIS301G, ILE103G, ILE162G, ILE197G, ILE201G, ILE45C, ILE47C, ILE52C, ILE75G, LEU10C, LEU299G, LEU302C, LEU302G, LEU304G, LEU346C, LYS12C, LYS13C, LYS158G, LYS171G, LYS172G, LYS204G, LYS71C, LYS74C, LYS74G, PHE165G, PHE167G, PHE169G, PHE18C, PHE18G, PHE262G, PHE269G, PRO11C, PRO157G, PRO207G, PRO46C, PRO46G, SER347C, SER69C, THR132G, THR155G, THR159G, THR19C, THR2C, THR348C, THR51C, THR9C, TRP49C, TYR104G, TYR14C, TYR14G, TYR173G, TYR206G, TYR266G, TYR307C, TYR64C, VAL268G
• C-H: ALA1C, CYS150H, GLY152H, PRO151H, THR2C, VAL149H, VAL153H
• D-E: ALA1E, ALA3E, ALA4E, ALA6E, CYS150D, GLN5E, GLY152D, PRO151D, THR2E, VAL149D, VAL153D, VAL154D
• E-F: ALA164F, ALA184E, ALA196F, ALA219E, ALA223E, ALA225E, ALA248E, ALA249E, ALA259F, ALA85E, ARG104F, ARG114F, ARG119E, ARG129E, ARG135F, ARG156E, ARG162F, ARG194F, ARG274E, ARG97F, ARG98E, ASN128F, ASN185E, ASN202F, ASN218E, ASN223F, ASN231F, ASN244F, ASN245E, ASN254F, ASN94E, ASP163F, ASP191E, ASP197F, ASP217E, ASP222F, ASP248F, ASP252F, ASP86E, CYS150F, GLN155F, GLN193F, GLN222E, GLN87E, GLU127F, GLU133E, GLU135E, GLU139F, GLU140E, GLU141F, GLU142E, GLU146F, GLU149E, GLU219F, GLY134E, GLY138E, GLY140F, GLY144F, GLY146E, GLY152F, GLY190E, GLY192E, GLY198F, GLY244E, GLY247E, GLY247F, GLY252E, GLY253E, GLY255E, GLY256F, GLY260F, GLY89E, GLY91E, HIS141E, HIS147F, HIS182E, HIS188F, HIS275E, HIS82E, HIS90E, HIS96F, ILE120E, ILE145F, ILE148F, ILE157F, ILE160F, ILE186E, ILE192F, ILE197E, ILE215E, ILE221F, ILE242E, ILE246E, ILE249F, ILE251E, LEU101F, LEU139E, LEU151E, LEU159F, LEU189E, LEU193E, LEU195F, LEU199F, LEU220F, LEU226F, LEU243E, LEU245F, LEU250E, LEU250F, LEU253F, LEU257F, LEU262F, LEU93E, LYS123F, LYS152E, LYS158E, LYS158F, LYS183E, LYS188E, LYS189F, LYS205F, LYS226E, LYS227F, LYS99E, PHE110E, PHE136E, PHE194E, PHE200F, PRO121E, PRO145E, PRO151F, PRO157E, PRO227E, PRO232F, PRO254E, PRO84E, SER137E, SER143E, SER143F, SER150E, SER156F, SER165F, SER190F, SER220E, SER224F, SER233F, SER237E, SER251F, SER255F, SER258F, SER261F, SER273E, SER92E, SER98F, THR118E, THR124F, THR125F, THR155E, THR159E, THR161F, THR191F, THR218F, THR230F, THR241E, THR83E, THR88E, TYR126F, TYR142F, TYR239E, TYR246F, VAL129F, VAL144E, VAL147E, VAL148E, VAL149F, VAL153E, VAL153F, VAL154F, VAL181E, VAL187F, VAL201F, VAL203F, VAL216E, VAL224E, VAL225F, VAL228F, VAL229F, VAL257E, VAL276E, VAL95E
• E-G: GLU142E, GLU142G, GLU149E, GLU149G, GLY146E, GLY146G, HIS141E, HIS141G, LEU139G, LEU151E, LEU151G, LEU189E, PRO145E, PRO145G, SER143E, SER143G, VAL144E, VAL144G, VAL147E, VAL147G, VAL148E, VAL148G
• E-H: ALA164H, ARG162H, ASN64H, ASP163H, CYS150H, GLN155H, GLU133E, GLU139H, GLU140E, GLU142E, GLU146H, GLU149E, GLY138E, GLY144H, HIS141E, HIS147H, ILE145H, ILE148H, ILE157H, ILE160H, LEU139E, LEU151E, LEU159H, LYS152E, LYS158E, PRO145E, PRO151H, PRO157E, SER137E, SER143E, SER143H, SER150E, THR132E, THR138H, THR155E, THR161H, THR88E, VAL144E, VAL147E, VAL149H, VAL153E, VAL153H
• F-G: ALA164F, ARG161G, ARG162F, ASN64F, ASP102G, ASP163F, CYS150F, GLN155F, GLU133G, GLU139F, GLU140G, GLU142G, GLU146F, GLU149G, GLY138G, GLY144F, HIS141G, HIS147F, ILE145F, ILE148F, ILE157F, ILE160F, LEU139G, LEU151G, LEU159F, LYS152G, LYS158F, LYS158G, LYS99G, PRO145G, PRO151F, PRO157G, SER137G, SER143F, SER143G, SER150G, THR132G, THR138F, THR155G, THR161F, THR88G, VAL144G, VAL147G, VAL149F, VAL153F, VAL153G, VAL154F
• F-H: CYS150F, CYS150H, GLN155F, GLN155H, GLY152F, GLY152H, HIS147F, HIS147H, ILE148F, ILE148H, ILE157F, ILE157H, LEU195F, LEU195H, PRO151F, PRO151H, VAL149F, VAL149H, VAL153F, VAL153H, VAL154F, VAL154H
• G-H: ALA164H, ALA184G, ALA196H, ALA219G, ALA223G, ALA225G, ALA248G, ALA249G, ALA259H, ALA85G, ARG104H, ARG114H, ARG119G, ARG129G, ARG135H, ARG156G, ARG162H, ARG194H, ARG274G, ARG97H, ARG98G, ASN128H, ASN137H, ASN185G, ASN202H, ASN218G, ASN223H, ASN231H, ASN244H, ASN245G, ASN254H, ASN94G, ASP163H, ASP191G, ASP197H, ASP217G, ASP222H, ASP248H, ASP252H, ASP86G, CYS150H, GLN155H, GLN193H, GLN222G, GLN87G, GLU127H, GLU133G, GLU135G, GLU139H, GLU140G, GLU141H, GLU142G, GLU146H, GLU149G, GLY134G, GLY138G, GLY140H, GLY144H, GLY146G, GLY152H, GLY190G, GLY192G, GLY198H, GLY244G, GLY247G, GLY247H, GLY252G, GLY253G, GLY255G, GLY256H, GLY260H, GLY89G, GLY91G, HIS141G, HIS147H, HIS182G, HIS188H, HIS275G, HIS82G, HIS90G, ILE120G, ILE145H, ILE148H, ILE157H, ILE160H, ILE186G, ILE192H, ILE197G, ILE215G, ILE221H, ILE242G, ILE246G, ILE249H, ILE251G, LEU101H, LEU139G, LEU151G, LEU159H, LEU189G, LEU193G, LEU195H, LEU199H, LEU220H, LEU226H, LEU243G, LEU245H, LEU250G, LEU250H, LEU253H, LEU257H, LEU262H, LEU93G, LYS152G, LYS158G, LYS158H, LYS183G, LYS188G, LYS189H, LYS205H, LYS226G, LYS227H, LYS99G, PHE136G, PHE194G, PHE200H, PRO121G, PRO145G, PRO151H, PRO157G, PRO227G, PRO232H, PRO254G, PRO84G, SER137G, SER143G, SER143H, SER150G, SER156H, SER165H, SER190H, SER220G, SER224H, SER233H, SER237G, SER251H, SER255H, SER258H, SER261H, SER273G, SER92G, SER98H, THR118G, THR124H, THR125H, THR155G, THR159G, THR161H, THR191H, THR218H, THR230H, THR241G, THR83G, THR88G, TYR126H, TYR142H, TYR239G, TYR246H, VAL129H, VAL144G, VAL147G, VAL148G, VAL149H, VAL153G, VAL153H, VAL154H, VAL181G, VAL187H, VAL201H, VAL203H, VAL216G, VAL224G, VAL225H, VAL228H, VAL229H, VAL276G, VAL95G