2OZL

human pyruvate dehydrogenase s264e variant

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 186
  • Norm. En. per Res.: -4.5067
• 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	-81.0167	-30.0653	-495.335	-606.417	166	20	13	18485	6	15	23
A-C	-55.6981	0.6443	-163.267	-218.3209	78	4	7	6248	0	14	19
A-D	-106.7696	-45.8499	-478.616	-631.2355	184	19	11	19206	5	35	36
B-C	-83.829	-36.2965	-467.097	-587.2225	185	17	10	19130	5	35	36
B-D	-95.2655	-24.2504	-718.727	-838.2429	186	30	14	26226	17	28	25
C-D	-78.6184	11.99	-489.821	-556.4493	164	18	14	18283	6	14	22

Interface residues

• A-B: ALA117A, ALA128A, ALA140A, ALA146A, ALA149A, ALA151A, ALA178A, ALA182A, ALA277B, ALA63B, ALA66B, ALA69B, ALA70B, ALA72B, ALA89B, ALA97B, ALA98B, ARG162B, ARG242B, ARG278B, ARG349A, ARG51B, ARG75B, ASN130A, ASN135A, ASN155A, ASN164B, ASN165B, ASN180A, ASN352A, ASN95B, ASP163B, ASP20B, ASP343A, ASP49B, ASP54B, ASP91B, CYS116A, CYS139B, CYS152A, CYS161A, GLN108B, GLN141A, GLN172A, GLN174A, GLN353A, GLN88B, GLN92B, GLU108A, GLU177A, GLU21B, GLU274B, GLU281B, GLU334A, GLU347A, GLU59B, GLY105B, GLY106B, GLY115A, GLY119A, GLY121A, GLY122A, GLY133A, GLY134A, GLY136A, GLY139A, GLY141B, GLY145A, GLY147A, GLY156A, GLY173A, GLY27B, GLY282B, GLY336A, GLY61B, GLY64B, GLY68B, GLY73B, HIS125A, HIS338A, HIS84A, ILE137A, ILE148A, ILE175A, ILE195B, ILE339A, ILE52B, ILE53B, ILE57B, ILE65B, ILE86A, ILE94B, LEU100A, LEU107B, LEU142B, LEU144A, LEU150A, LEU17B, LEU184A, LEU187A, LEU25B, LEU26B, LEU335A, LEU74B, LYS118A, LYS120A, LYS129A, LYS143B, LYS153A, LYS157A, LYS22B, LYS50B, LYS99B, MET103B, MET124A, MET126A, MET181A, MET280B, MET60B, MET71B, PHE114B, PHE131A, PHE176A, PHE191A, PHE24B, PHE346A, PHE62B, PRO109B, PRO111B, PRO140B, PRO143A, PRO166B, PRO243B, PRO283B, PRO344A, PRO56B, PRO76B, SER104B, SER341A, SER342A, SER359A, SER361A, SER58B, SER96B, THR100B, THR55B, TRP185A, TRP354A, TYR101B, TYR102B, TYR127A, TYR132A, TYR154A, TYR179A, TYR337A, TYR340A, TYR47B, VAL110B, VAL138A, VAL142A, VAL144B, VAL167B, VAL23B, VAL348A, VAL360A, VAL67B
• A-C: ALA170A, ALA170C, ALA178A, ALA178C, ALA182A, ALA182C, ALA183A, ALA183C, ALA207A, ALA207C, ALA208A, ALA208C, ALA209A, ALA209C, ARG16A, ARG16C, ARG206A, ARG206C, ARG216A, ARG216C, ASN171A, ASN171C, ASN180A, ASN180C, ASP212A, ASP212C, ASP218A, ASP218C, GLN172A, GLN172C, GLN174A, GLN174C, GLU177A, GLU177C, GLU205A, GLU205C, GLY168A, GLY168C, GLY173A, GLY173C, GLY217A, GLY217C, HIS15A, HIS15C, ILE175A, ILE175C, ILE220A, ILE220C, LEU184A, LEU184C, LYS186A, LYS186C, LYS215A, LYS215C, MET181A, MET181C, PHE176A, PHE176C, PHE219A, PHE219C, PRO250A, PRO250C, SER203A, SER203C, SER210A, SER210C, THR202A, THR202C, THR211A, THR211C, TRP185A, TRP185C, TYR179A, TYR179C, TYR213A, TYR213C, VAL204A, VAL204C
• A-D: ALA107A, ALA117A, ALA122D, ALA125D, ALA126D, ALA140A, ALA169A, ALA170A, ALA207A, ALA208A, ALA209A, ALA273D, ALA292D, ALA298D, ALA305D, ALA31D, ALA322D, ALA351A, ALA36D, ARG112A, ARG206A, ARG216A, ARG259A, ARG294D, ARG349A, ARG59A, ASN135A, ASN171A, ASN311D, ASN352A, ASN84D, ASP167A, ASP267A, ASP299D, ASP310D, ASP318D, ASP34D, ASP49D, ASP54D, CYS276D, CYS62A, GLN127D, GLN172A, GLN174A, GLN268D, GLN315D, GLN32D, GLN353A, GLN88D, GLU108A, GLU173D, GLU263D, GLU264A, GLU28D, GLU29D, GLU309D, GLU329A, GLU333A, GLU334A, GLU347A, GLU59D, GLY111A, GLY115A, GLY119A, GLY121A, GLY122A, GLY123D, GLY134A, GLY136A, GLY139A, GLY166A, GLY168A, GLY173A, GLY199A, GLY201A, GLY262A, GLY265D, GLY269A, GLY272D, GLY27D, GLY297D, GLY336A, GLY350A, GLY35D, GLY60A, GLY61D, HIS125A, HIS128D, HIS263A, HIS338A, HIS63A, ILE137A, ILE307D, ILE313D, ILE319D, ILE320D, ILE323D, ILE339A, ILE355A, ILE52D, ILE53D, ILE57A, ILE57D, ILE58A, LEU106A, LEU109A, LEU144A, LEU174D, LEU308D, LEU332A, LEU335A, LYS113A, LYS118A, LYS120A, LYS306D, LYS317D, LYS324D, LYS325D, LYS38D, LYS56A, MET124A, MET126A, MET200A, MET302D, MET60D, MET81D, MET87D, PHE132D, PHE176A, PHE321D, PHE346A, PHE357A, PHE61A, PHE62D, PHE85D, PRO267D, PRO268A, PRO291D, PRO301D, PRO303D, PRO314D, PRO328A, PRO330A, PRO331A, PRO56D, SER121D, SER123A, SER129D, SER203A, SER266A, SER271A, SER312D, SER359A, SER58D, SER86D, THR110A, THR202A, THR261D, THR296D, THR326D, THR55D, THR82D, TRP354A, TRP44D, TYR127A, TYR198A, TYR272A, TYR304D, TYR337A, TYR33D, TYR340A, TYR37D, TYR53A, TYR89A, VAL124D, VAL138A, VAL260D, VAL262D, VAL270A, VAL293D, VAL295D, VAL300D, VAL30D, VAL348A
• B-C: ALA107C, ALA117C, ALA122B, ALA125B, ALA126B, ALA140C, ALA169C, ALA170C, ALA207C, ALA208C, ALA209C, ALA273B, ALA292B, ALA298B, ALA305B, ALA31B, ALA322B, ALA351C, ALA36B, ARG112C, ARG206C, ARG216C, ARG259C, ARG294B, ARG349C, ARG59C, ASN135C, ASN171C, ASN311B, ASN352C, ASN84B, ASP167C, ASP267C, ASP299B, ASP310B, ASP318B, ASP34B, ASP49B, ASP54B, CYS276B, CYS62C, GLN127B, GLN172C, GLN174C, GLN268B, GLN315B, GLN32B, GLN353C, GLN88B, GLU108C, GLU173B, GLU177C, GLU263B, GLU264C, GLU28B, GLU29B, GLU309B, GLU329C, GLU333C, GLU334C, GLU347C, GLU59B, GLY111C, GLY115C, GLY119C, GLY121C, GLY122C, GLY123B, GLY134C, GLY136C, GLY139C, GLY166C, GLY168C, GLY173C, GLY199C, GLY201C, GLY262C, GLY265B, GLY269C, GLY272B, GLY297B, GLY336C, GLY350C, GLY35B, GLY60C, GLY61B, HIS125C, HIS128B, HIS263C, HIS338C, HIS63C, ILE137C, ILE307B, ILE313B, ILE319B, ILE320B, ILE323B, ILE339C, ILE355C, ILE52B, ILE53B, ILE57B, ILE57C, ILE58C, LEU106C, LEU109C, LEU144C, LEU174B, LEU308B, LEU332C, LEU335C, LYS113C, LYS118C, LYS120C, LYS306B, LYS317B, LYS324B, LYS325B, LYS358C, LYS38B, LYS56C, MET124C, MET200C, MET302B, MET60B, MET81B, MET87B, PHE132B, PHE176C, PHE269B, PHE321B, PHE346C, PHE357C, PHE61C, PHE62B, PHE85B, PRO267B, PRO268C, PRO291B, PRO301B, PRO303B, PRO314B, PRO330C, PRO331C, PRO56B, SER121B, SER123C, SER129B, SER203C, SER266C, SER271C, SER312B, SER359C, SER58B, SER86B, THR110C, THR202C, THR261B, THR296B, THR326B, THR55B, THR82B, TRP354C, TRP44B, TYR127C, TYR198C, TYR272C, TYR304B, TYR337C, TYR33B, TYR340C, TYR37B, TYR53C, TYR89C, VAL124B, VAL138C, VAL204C, VAL260B, VAL262B, VAL270C, VAL293B, VAL295B, VAL300B, VAL30B, VAL348C
• B-D: ALA125B, ALA125D, ALA126B, ALA126D, ALA133B, ALA133D, ALA134B, ALA134D, ALA273B, ALA273D, ALA277B, ALA277D, ALA290B, ALA290D, ALA292B, ALA292D, ALA298B, ALA298D, ALA305B, ALA305D, ALA89B, ALA89D, ALA97B, ALA97D, ALA98B, ALA98D, ARG242B, ARG242D, ARG278B, ARG278D, ARG294B, ARG294D, ASN286B, ASN286D, ASN84B, ASN84D, ASN95B, ASN95D, ASP289B, ASP289D, ASP299B, ASP299D, ASP91B, ASP91D, CYS131B, CYS131D, CYS139B, CYS139D, CYS276B, CYS276D, GLN127B, GLN127D, GLN130B, GLN130D, GLN268B, GLN268D, GLN88B, GLN88D, GLN92B, GLN92D, GLU263B, GLU263D, GLU274B, GLU274D, GLU281B, GLU281D, GLU309D, GLU59B, GLU59D, GLY137B, GLY137D, GLY141B, GLY141D, GLY265B, GLY265D, GLY270B, GLY270D, GLY272B, GLY272D, GLY282B, GLY282D, HIS128B, HIS128D, HIS138B, HIS138D, HIS212D, ILE241B, ILE241D, ILE275B, ILE275D, ILE279B, ILE279D, ILE90B, ILE90D, ILE94B, ILE94D, LEU142B, LEU142D, LEU259B, LEU259D, LEU288B, LEU288D, LEU308B, LEU308D, LYS99B, LYS99D, MET103B, MET103D, MET238B, MET238D, MET244B, MET244D, MET246B, MET246D, MET280B, MET280D, MET302B, MET302D, MET60B, MET60D, MET71B, MET87B, MET87D, PHE132B, PHE132D, PHE269B, PHE269D, PHE285B, PHE285D, PHE83B, PHE83D, PHE85B, PHE85D, PRO140B, PRO140D, PRO243B, PRO243D, PRO267B, PRO267D, PRO291B, PRO291D, PRO301B, PRO301D, PRO303B, PRO303D, SER129B, SER129D, SER312B, SER312D, SER86B, SER86D, SER96B, SER96D, THR100B, THR100D, THR240B, THR240D, THR261B, THR261D, THR296B, THR296D, THR82D, TRP135B, TRP135D, TRP266B, TRP266D, TYR101B, TYR101D, TYR102B, TYR102D, TYR136B, TYR136D, TYR304B, TYR304D, VAL144B, VAL144D, VAL271B, VAL271D, VAL293B, VAL293D, VAL295B, VAL295D, VAL300B, VAL300D, VAL93B, VAL93D
• C-D: ALA117C, ALA128C, ALA140C, ALA146C, ALA149C, ALA151C, ALA178C, ALA182C, ALA277D, ALA63D, ALA66D, ALA69D, ALA70D, ALA72D, ALA89D, ALA97D, ALA98D, ARG162D, ARG242D, ARG278D, ARG349C, ARG51D, ARG75D, ASN130C, ASN135C, ASN155C, ASN164D, ASN165D, ASN180C, ASN352C, ASN95D, ASP163D, ASP20D, ASP343C, ASP49D, ASP54D, ASP91D, CYS116C, CYS139D, CYS152C, CYS161C, GLN108D, GLN141C, GLN172C, GLN174C, GLN353C, GLN88D, GLN92D, GLU108C, GLU159C, GLU177C, GLU21D, GLU274D, GLU281D, GLU334C, GLU347C, GLU59D, GLY105D, GLY106D, GLY115C, GLY119C, GLY121C, GLY122C, GLY133C, GLY134C, GLY136C, GLY139C, GLY141D, GLY145C, GLY147C, GLY156C, GLY173C, GLY27D, GLY282D, GLY336C, GLY61D, GLY64D, GLY68D, GLY73D, HIS125C, HIS338C, HIS84C, ILE137C, ILE148C, ILE175C, ILE195D, ILE339C, ILE52D, ILE53D, ILE57D, ILE65D, ILE86C, ILE94D, LEU100C, LEU107D, LEU142D, LEU144C, LEU150C, LEU17D, LEU184C, LEU187C, LEU25D, LEU26D, LEU335C, LEU74D, LYS118C, LYS120C, LYS129C, LYS143D, LYS153C, LYS22D, LYS50D, LYS99D, MET103D, MET124C, MET126C, MET181C, MET280D, MET60D, MET71D, PHE131C, PHE176C, PHE191C, PHE24D, PHE346C, PHE62D, PRO109D, PRO111D, PRO140D, PRO143C, PRO166D, PRO243D, PRO283D, PRO344C, PRO56D, PRO76D, SER104D, SER341C, SER342C, SER359C, SER361C, SER58D, SER96D, THR100D, THR55D, TRP185C, TRP354C, TYR101D, TYR102D, TYR127C, TYR132C, TYR154C, TYR179C, TYR337C, TYR340C, VAL110D, VAL138C, VAL142C, VAL144D, VAL167D, VAL23D, VAL348C, VAL360C, VAL67D