3OXO

succinyl-coa:3-ketoacid coa transferase from pig heart covalently bound to coa

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 229
  • Norm. En. per Res.: -3.9317
• Hub Node: B(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	-151.8828	-76.219	-662.248	-890.3499	230	20	15	25231	26	61	69
A-C	-6.3585	31.4716	-59.8783	-34.7651	74	1	0	3234	0	29	26
B-C	0.0	-5.3222	-4.3866	-9.7089	19	0	0	377	0	13	8
B-D	0.0	0.0	-0.3137	-0.3137	6	0	0	118	0	3	3
B-F	-7.2559	6.8735	-74.2519	-74.6342	77	6	1	5063	1	40	41
C-D	-152.0155	-81.0687	-667.276	-900.3602	229	24	17	25460	25	62	70
D-F	-36.1915	5.6688	-124.398	-154.9207	77	12	1	5869	0	25	24
D-H	-7.2855	-0.9805	-79.6363	-87.9024	79	14	1	5212	1	37	46
E-F	-143.829	-44.7777	-611.524	-800.1307	224	20	15	24275	22	56	68
E-G	0.0	4.9687	-23.0966	-18.1279	44	0	0	1471	0	9	10
E-H	0.0	5.9659	-9.2231	-3.2573	20	0	0	507	1	9	9
F-G	0.0	0.0	-0.1605	-0.1605	3	0	0	16	0	0	3
F-H	0.0	0.0	-0.7982	-0.7982	9	0	0	104	0	5	4
G-H	-156.4788	-57.8385	-653.311	-867.6283	228	29	16	24981	20	56	67

Interface residues

• A-B: ALA103A, ALA103B, ALA108A, ALA108B, ALA111A, ALA111B, ALA115A, ALA115B, ALA163A, ALA163B, ALA179A, ALA179B, ALA188A, ALA188B, ALA198A, ALA198B, ALA199A, ALA199B, ALA216A, ALA216B, ALA280A, ALA280B, ALA338A, ALA338B, ALA348A, ALA348B, ARG107A, ARG107B, ARG151A, ARG151B, ARG165A, ARG165B, ARG185A, ARG185B, ARG189A, ARG189B, ARG351A, ARG351B, ASN154A, ASN154B, ASN181A, ASN181B, ASN281A, ASN356A, ASN356B, ASP177A, ASP177B, ASP211A, ASP211B, ASP219A, ASP219B, ASP323A, ASP323B, ASP344A, ASP344B, CYS196A, CYS196B, GLN156A, GLN156B, GLN178A, GLN178B, GLN303A, GLN303B, GLU104A, GLU104B, GLU149A, GLU149B, GLU152A, GLU152B, GLU161A, GLU161B, GLU162A, GLU162B, GLU200A, GLU200B, GLU218A, GLU218B, GLU345A, GLU345B, GLY109A, GLY109B, GLY110A, GLY110B, GLY112A, GLY112B, GLY180A, GLY180B, GLY213A, GLY213B, GLY277A, GLY277B, GLY310A, GLY310B, GLY337A, GLY337B, GLY352A, GLY352B, GLY353A, GLY353B, HIS157A, HIS157B, HIS221A, HIS221B, HIS228A, HIS228B, HIS301A, HIS301B, HIS354A, HIS354B, ILE159A, ILE159B, ILE212A, ILE212B, ILE220A, ILE220B, ILE222A, ILE222B, ILE225A, ILE225B, ILE308A, ILE308B, ILE350A, ILE350B, LEU160A, LEU160B, LEU193A, LEU193B, LEU302A, LEU302B, LEU309A, LEU309B, LEU311A, LEU311B, LEU324A, LEU324B, LEU335A, LEU335B, LEU357A, LEU357B, LYS186A, LYS186B, LYS197A, LYS197B, LYS224A, LYS224B, LYS395A, LYS395B, MET278A, MET278B, MET349A, MET349B, PHE116A, PHE116B, PHE153A, PHE153B, PHE158A, PHE158B, PHE184A, PHE184B, PHE215A, PHE215B, PHE341A, PHE341B, PHE347A, PHE347B, PRO114A, PRO114B, PRO194A, PRO194B, PRO217A, PRO217B, PRO223A, PRO223B, PRO336A, PRO336B, SER119A, SER119B, SER187A, SER187B, SER214A, SER214B, SER339A, SER339B, SER342A, SER342B, SER343A, SER343B, SER346A, SER346B, SER392A, SER392B, SER393A, SER393B, THR118A, THR118B, THR120A, THR120B, THR183A, THR183B, THR1A, THR1B, THR201A, THR201B, THR202A, THR202B, THR299A, THR299B, THR396B, TRP174A, TRP174B, TYR117A, TYR117B, TYR226A, TYR226B, TYR279A, TYR279B, TYR340A, TYR340B, VAL113A, VAL113B, VAL182A, VAL182B, VAL227A, VAL227B, VAL300A, VAL300B, VAL334A, VAL334B, VAL355A, VAL355B
• A-C: ALA406C, ALA410C, ARG148C, ARG151C, ARG185A, ARG246A, ASN318A, ASN409C, ASP138C, ASP211A, ASP321A, ASP457C, ASP458C, ASP466C, CYS417C, CYS465C, GLN127C, GLN178A, GLN317A, GLU128C, GLU149C, GLU208A, GLU234A, GLU319A, GLU415C, GLY123C, GLY129C, GLY130C, GLY213A, GLY337A, GLY408C, GLY464C, HIS157C, HIS404C, HIS411C, ILE141C, ILE159C, ILE209A, ILE212A, ILE459C, LEU125C, LEU316A, LEU335A, LEU421C, LYS146C, LYS175A, LYS186A, LYS232A, LYS238A, LYS247A, LYS367C, LYS412C, LYS416C, LYS424C, LYS434C, LYS460C, LYS461C, MET414C, PRO147C, PRO336A, PRO420C, SER140C, SER214A, SER405C, SER462C, THR124C, THR418C, THR463C, TRP174A, TYR122C, VAL150C, VAL210A, VAL320A, VAL334A
• B-C: ALA216B, ASP211B, ASP466C, GLU218B, GLU415C, GLY213B, ILE212B, LYS175B, LYS367C, LYS416C, LYS442C, LYS443C, PHE215B, PRO217B, PRO336B, SER214B, TYR368C, VAL150C, VAL210B
• B-D: ASN318B, GLN317B, LEU316B, LYS146D, LYS247B, PRO147D
• B-F: ALA81B, ALA81F, ALA89F, ARG239B, ARG239F, ARG242B, ARG85B, ARG85F, ASN318B, ASN57B, ASN57F, ASN80B, ASN80F, ASP321B, ASP56B, ASP56F, GLN317B, GLN317F, GLN65B, GLN65F, GLN68F, GLN86B, GLN86F, GLU234F, GLU237B, GLU237F, GLU241B, GLU79B, GLU82B, GLU82F, GLU84B, GLU84F, GLY36F, GLY378F, GLY42F, GLY61F, ILE240B, ILE35F, ILE376F, LEU243B, LEU27B, LEU380F, LEU39B, LEU39F, LEU62B, LEU62F, LEU63F, LEU64F, LEU88F, LYS137F, LYS235B, LYS235F, LYS238B, LYS247B, LYS379B, LYS379F, LYS407B, LYS407F, LYS40F, LYS44F, LYS67B, LYS67F, PHE58B, PHE58F, PHE83B, PHE83F, PRO377F, SER244B, SER66B, SER66F, THR331B, TYR236B, TYR236F, TYR87F, VAL245B, VAL320B, VAL55B
• C-D: ALA103C, ALA103D, ALA108C, ALA108D, ALA111C, ALA111D, ALA115C, ALA115D, ALA163C, ALA163D, ALA179C, ALA179D, ALA188C, ALA188D, ALA198C, ALA198D, ALA199C, ALA199D, ALA216C, ALA216D, ALA280C, ALA280D, ALA338C, ALA338D, ALA348C, ALA348D, ARG107C, ARG107D, ARG151C, ARG151D, ARG165C, ARG165D, ARG185C, ARG185D, ARG189C, ARG189D, ARG351C, ARG351D, ASN154C, ASN154D, ASN181C, ASN181D, ASN356C, ASN356D, ASP177C, ASP177D, ASP211C, ASP211D, ASP219C, ASP219D, ASP323C, ASP323D, ASP344C, ASP344D, CYS196C, CYS196D, GLN156C, GLN156D, GLN178C, GLN303C, GLN303D, GLU104C, GLU104D, GLU149C, GLU149D, GLU152C, GLU152D, GLU161C, GLU161D, GLU162C, GLU162D, GLU200C, GLU200D, GLU218C, GLU218D, GLU345C, GLU345D, GLY109C, GLY109D, GLY110C, GLY110D, GLY112C, GLY112D, GLY180C, GLY180D, GLY213C, GLY213D, GLY277C, GLY277D, GLY307D, GLY310C, GLY310D, GLY337C, GLY337D, GLY352C, GLY352D, GLY353C, GLY353D, HIS157C, HIS157D, HIS221C, HIS221D, HIS228C, HIS228D, HIS301C, HIS301D, HIS354C, HIS354D, ILE159C, ILE159D, ILE212C, ILE212D, ILE220C, ILE220D, ILE222C, ILE222D, ILE225C, ILE225D, ILE308C, ILE308D, ILE350C, ILE350D, LEU160C, LEU160D, LEU193C, LEU193D, LEU302C, LEU302D, LEU309C, LEU309D, LEU311C, LEU311D, LEU324C, LEU324D, LEU335C, LEU335D, LEU357C, LEU357D, LYS186C, LYS186D, LYS197C, LYS197D, LYS224C, LYS224D, LYS395C, LYS395D, MET278C, MET278D, MET349C, MET349D, PHE116C, PHE116D, PHE153C, PHE153D, PHE158C, PHE158D, PHE184C, PHE184D, PHE215C, PHE215D, PHE341C, PHE341D, PHE347C, PHE347D, PRO114C, PRO114D, PRO194C, PRO194D, PRO217C, PRO217D, PRO223C, PRO223D, PRO336C, PRO336D, SER119C, SER119D, SER187C, SER187D, SER214C, SER214D, SER339C, SER339D, SER342C, SER342D, SER343C, SER343D, SER346C, SER346D, SER392C, SER392D, SER393C, SER393D, THR118C, THR118D, THR120C, THR120D, THR183C, THR183D, THR1C, THR1D, THR201C, THR201D, THR202C, THR202D, THR299C, THR299D, THR396D, TRP174C, TRP174D, TYR117C, TYR117D, TYR226C, TYR226D, TYR279C, TYR279D, TYR340C, TYR340D, VAL113C, VAL113D, VAL182C, VAL182D, VAL227C, VAL227D, VAL300C, VAL300D, VAL334C, VAL334D, VAL355C, VAL355D
• D-F: ALA142D, ALA142F, ALA144D, ALA144F, ALA372F, ARG148F, ARG71D, ASN136D, ASN136F, ASP138D, ASP138F, ASP370F, CYS417F, CYS465F, GLN127F, GLN364F, GLU128F, GLU415D, GLU415F, GLU45D, GLU93D, GLY123F, GLY129D, GLY129F, GLY130D, GLY130F, GLY139D, GLY139F, GLY378D, GLY378F, GLY464F, GLY90D, HIS411F, ILE133D, ILE141D, ILE141F, ILE143D, ILE376F, LEU125F, LEU371F, LEU419F, LEU421F, LEU88D, LYS134D, LYS137D, LYS137F, LYS146D, LYS146F, LYS379F, LYS416D, LYS416F, LYS424F, LYS460F, LYS461F, LYS70D, MET375F, MET388F, PRO132D, PRO132F, PRO147D, PRO147F, PRO377D, PRO377F, PRO420F, SER131F, SER140D, SER140F, SER145D, SER145F, THR124F, THR418D, THR418F, THR422F, TRP374F, TYR135D, TYR135F, VAL126F
• D-H: ALA322H, ALA81D, ALA81H, ALA89D, ARG239D, ARG239H, ARG242H, ARG246H, ARG85D, ARG85H, ASN318H, ASN57D, ASN57H, ASN80D, ASN80H, ASP138D, ASP321H, ASP56D, ASP56H, GLN317D, GLN317H, GLN65D, GLN65H, GLN68D, GLN86D, GLN86H, GLU234D, GLU237D, GLU237H, GLU241H, GLU79H, GLU82D, GLU82H, GLU84D, GLU91D, GLY139D, GLY36D, GLY408H, GLY42D, GLY61D, GLY90D, ILE240H, ILE35D, LEU243D, LEU243H, LEU27H, LEU316H, LEU39D, LEU62D, LEU62H, LEU63D, LEU64D, LEU88D, LYS137D, LYS235D, LYS235H, LYS238H, LYS329H, LYS379D, LYS407H, LYS40D, LYS44D, LYS67D, LYS67H, PHE58D, PHE58H, PHE83D, PRO315H, SER244H, SER66D, SER66H, THR331H, TYR135D, TYR236H, TYR87D, VAL245D, VAL245H, VAL320H, VAL55H
• E-F: ALA103E, ALA103F, ALA108E, ALA108F, ALA111E, ALA111F, ALA115E, ALA115F, ALA163E, ALA163F, ALA179E, ALA179F, ALA188E, ALA188F, ALA198E, ALA198F, ALA199E, ALA199F, ALA216E, ALA216F, ALA280E, ALA280F, ALA338E, ALA338F, ALA348E, ALA348F, ARG107E, ARG107F, ARG151E, ARG151F, ARG165E, ARG165F, ARG185E, ARG185F, ARG189E, ARG189F, ARG351E, ARG351F, ASN154E, ASN154F, ASN181E, ASN181F, ASN356E, ASN356F, ASP177E, ASP177F, ASP211E, ASP211F, ASP219E, ASP219F, ASP323E, ASP323F, ASP344E, ASP344F, CYS196E, CYS196F, GLN156E, GLN156F, GLN178E, GLN303E, GLN303F, GLU104E, GLU104F, GLU149E, GLU149F, GLU152E, GLU152F, GLU161E, GLU161F, GLU162E, GLU162F, GLU200E, GLU200F, GLU218E, GLU218F, GLU345E, GLU345F, GLY109E, GLY109F, GLY110E, GLY110F, GLY112E, GLY112F, GLY180E, GLY180F, GLY213E, GLY213F, GLY277E, GLY277F, GLY307F, GLY310E, GLY310F, GLY337E, GLY337F, GLY352E, GLY352F, GLY353E, GLY353F, HIS157E, HIS157F, HIS221E, HIS221F, HIS228E, HIS228F, HIS301E, HIS301F, HIS354E, HIS354F, ILE159E, ILE159F, ILE212E, ILE212F, ILE220E, ILE220F, ILE222E, ILE222F, ILE225E, ILE225F, ILE308E, ILE308F, ILE350E, ILE350F, LEU160E, LEU160F, LEU193E, LEU193F, LEU302E, LEU302F, LEU309E, LEU309F, LEU311F, LEU324F, LEU335E, LEU335F, LEU357E, LEU357F, LYS186E, LYS186F, LYS197E, LYS197F, LYS224E, LYS224F, LYS395E, LYS395F, MET278E, MET278F, MET349E, MET349F, PHE116E, PHE116F, PHE153E, PHE153F, PHE158E, PHE158F, PHE184E, PHE184F, PHE215E, PHE215F, PHE341E, PHE341F, PHE347E, PHE347F, PRO114E, PRO114F, PRO194E, PRO194F, PRO217E, PRO217F, PRO223E, PRO223F, PRO336E, PRO336F, SER119E, SER119F, SER187E, SER187F, SER214E, SER214F, SER339E, SER339F, SER342E, SER343E, SER343F, SER346E, SER346F, SER392E, SER392F, SER393E, SER393F, THR118E, THR118F, THR120E, THR120F, THR183E, THR183F, THR1E, THR1F, THR202E, THR202F, THR299E, THR299F, THR396E, TRP174E, TRP174F, TYR117E, TYR117F, TYR226E, TYR226F, TYR279E, TYR279F, TYR340E, TYR340F, VAL113E, VAL113F, VAL182E, VAL182F, VAL227E, VAL227F, VAL300E, VAL300F, VAL334E, VAL334F, VAL355E, VAL355F
• E-G: ALA142E, ALA144E, ARG185G, ASN136E, ASN318G, ASP138E, ASP321G, CYS417E, GLN317G, GLU128E, GLU208G, GLU237G, GLU319G, GLY129E, GLY130E, GLY139E, GLY378E, ILE141E, ILE143E, ILE240G, LEU125E, LEU243G, LEU316G, LEU419E, LYS146E, LYS175G, LYS186G, LYS238G, LYS416E, MET375E, PRO132E, PRO147E, PRO296G, PRO336G, PRO377E, PRO420E, SER131E, SER140E, SER145E, THR418E, TRP174G, TRP374E, TYR135E, VAL320G
• E-H: ALA216H, ARG148E, ARG151E, ASP211H, GLN127E, GLN178H, GLU149E, GLU152E, GLU208H, GLY213H, HIS157E, ILE212H, LYS175H, PHE153E, PRO147E, PRO217H, SER214H, TYR122E, VAL150E, VAL210H
• F-G: GLU152F, GLY213G, SER214G
• F-H: ASN318H, GLN317H, GLU128F, GLU149F, GLU208H, GLY123F, LYS416F, LYS424F, TYR122F
• G-H: ALA103G, ALA103H, ALA108G, ALA108H, ALA111G, ALA111H, ALA115G, ALA115H, ALA163G, ALA163H, ALA179G, ALA179H, ALA188G, ALA188H, ALA198G, ALA198H, ALA199G, ALA199H, ALA216G, ALA216H, ALA280G, ALA280H, ALA338G, ALA338H, ALA348G, ALA348H, ARG107G, ARG107H, ARG151G, ARG151H, ARG165G, ARG165H, ARG185G, ARG185H, ARG189G, ARG189H, ARG351G, ARG351H, ASN154G, ASN154H, ASN181G, ASN181H, ASN356G, ASN356H, ASP177G, ASP177H, ASP211G, ASP211H, ASP219G, ASP219H, ASP323G, ASP323H, ASP344G, ASP344H, CYS196G, CYS196H, GLN156G, GLN156H, GLN178G, GLN178H, GLN303G, GLN303H, GLU104G, GLU104H, GLU149G, GLU149H, GLU152G, GLU152H, GLU161G, GLU161H, GLU162G, GLU162H, GLU200G, GLU200H, GLU218G, GLU218H, GLU345G, GLU345H, GLY109G, GLY109H, GLY110G, GLY110H, GLY112G, GLY112H, GLY180G, GLY180H, GLY213G, GLY213H, GLY277G, GLY277H, GLY307G, GLY307H, GLY310G, GLY310H, GLY337G, GLY337H, GLY352G, GLY352H, GLY353G, GLY353H, HIS157G, HIS157H, HIS221G, HIS221H, HIS228G, HIS228H, HIS301G, HIS301H, HIS354G, HIS354H, ILE159G, ILE159H, ILE212G, ILE212H, ILE220G, ILE220H, ILE222G, ILE222H, ILE225G, ILE225H, ILE308G, ILE308H, ILE350G, ILE350H, LEU160G, LEU160H, LEU193G, LEU193H, LEU302G, LEU302H, LEU309G, LEU309H, LEU311G, LEU311H, LEU324G, LEU324H, LEU335G, LEU335H, LEU357G, LEU357H, LYS186G, LYS186H, LYS197G, LYS197H, LYS224G, LYS224H, LYS395G, LYS395H, MET278G, MET278H, MET349G, MET349H, PHE116G, PHE116H, PHE153G, PHE153H, PHE158G, PHE158H, PHE184G, PHE184H, PHE215G, PHE215H, PHE341G, PHE341H, PHE347G, PHE347H, PRO114G, PRO114H, PRO194G, PRO194H, PRO217G, PRO217H, PRO223G, PRO223H, PRO336G, PRO336H, SER119G, SER119H, SER187G, SER187H, SER214G, SER214H, SER339G, SER339H, SER342G, SER343G, SER343H, SER346G, SER346H, SER392G, SER392H, SER393G, SER393H, THR118G, THR118H, THR120G, THR120H, THR183G, THR183H, THR1G, THR1H, THR202G, THR202H, THR299G, THR299H, THR396G, TRP174G, TRP174H, TYR117G, TYR117H, TYR226G, TYR226H, TYR279G, TYR279H, TYR340G, TYR340H, VAL113G, VAL113H, VAL182G, VAL182H, VAL227G, VAL227H, VAL300G, VAL300H, VAL334G, VAL334H, VAL355G, VAL355H