3GH8

crystal structure of mus musculus iodotyrosine deiodinase (iyd) bound to fmn and di-iodotyrosine (dit)

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 349
  • Norm. En. per Res.: -4.6844
• 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	-312.8883	-22.3433	-1299.62	-1634.8515	349	69	42	53872	6	76	129
A-C	-7.4683	0.0	-9.4384	-16.9067	6	0	0	421	0	2	3
A-D	0.0	-5.8185	-1.0491	-6.8676	8	0	0	140	0	2	2
B-C	0.0	0.0	-0.1098	-0.1098	4	0	0	39	0	0	2
C-D	-286.2955	-9.0345	-1321.12	-1616.4501	352	67	42	54399	8	80	134
C-G	0.0	-19.0053	-21.9877	-40.993	24	0	0	928	1	12	13
C-H	-14.9073	3.9895	-44.5481	-55.4658	29	3	0	2035	0	7	10
D-G	0.0	-3.8303	-13.4097	-17.24	9	1	0	400	0	6	2
D-H	0.0	0.0	-0.1517	-0.1517	5	0	0	45	0	2	4
E-F	-242.5487	-5.957	-1328.02	-1576.5258	350	71	39	54124	7	76	127
E-G	-4.1141	0.0	-9.1144	-13.2285	6	0	0	415	0	2	2
E-H	0.0	-7.5026	-1.3882	-8.8907	8	0	0	158	0	2	2
F-G	0.0	0.0	-0.0942	-0.0942	2	0	0	35	0	0	3
G-H	-296.599	1.2112	-1332.81	-1628.1978	350	65	43	54521	8	78	135

Interface residues

• A-B: ALA118A, ALA118B, ALA119A, ALA119B, ALA122A, ALA122B, ALA126A, ALA126B, ALA198A, ALA216A, ALA216B, ALA222A, ALA222B, ALA223A, ALA223B, ALA227A, ALA227B, ALA268A, ALA268B, ALA277A, ALA277B, ARG100A, ARG100B, ARG164A, ARG164B, ARG173A, ARG173B, ARG249A, ARG249B, ARG266A, ARG266B, ARG275A, ARG275B, ARG76A, ARG76B, ARG83A, ARG83B, ARG85A, ARG85B, ARG96A, ARG96B, ARG97A, ARG97B, ASN114A, ASN114B, ASN156A, ASN156B, ASN226A, ASN226B, ASN238A, ASN238B, ASN94A, ASN94B, ASP138A, ASP138B, ASP140B, ASP168A, ASP168B, ASP267A, ASP267B, ASP272A, ASP272B, ASP279A, ASP279B, CYS217A, CYS217B, GLN193A, GLN193B, GLN225A, GLN225B, GLN280A, GLN280B, GLN80A, GLN80B, GLN87A, GLN87B, GLU105A, GLU105B, GLU110A, GLU110B, GLU113A, GLU113B, GLU129A, GLU129B, GLU153B, GLU210A, GLU210B, GLU253A, GLU253B, GLU68A, GLU68B, GLU79A, GLU79B, GLU81A, GLU81B, GLU88A, GLU88B, GLU91A, GLU91B, GLY120A, GLY120B, GLY125A, GLY125B, GLY162A, GLY162B, GLY196A, GLY196B, GLY218A, GLY218B, GLY228A, GLY228B, GLY248A, GLY248B, GLY262A, GLY262B, HIS106A, HIS106B, HIS127A, HIS127B, HIS195A, HIS195B, HIS206A, HIS206B, HIS286A, HIS69A, HIS69B, HIS74A, HIS74B, ILE112A, ILE112B, ILE116A, ILE116B, ILE145A, ILE145B, ILE188A, ILE188B, ILE190A, ILE190B, ILE211A, ILE211B, ILE215A, ILE215B, ILE281A, ILE281B, ILE70A, ILE70B, LEU169A, LEU169B, LEU172A, LEU172B, LEU187A, LEU187B, LEU189A, LEU189B, LEU219A, LEU219B, LEU220A, LEU220B, LEU221A, LEU221B, LEU224A, LEU224B, LEU229A, LEU229B, LEU237A, LEU237B, LEU243B, LEU246A, LEU246B, LEU247A, LEU247B, LEU255A, LEU255B, LEU256A, LEU256B, LEU259A, LEU259B, LEU273A, LEU273B, LEU278A, LEU278B, LEU92A, LEU92B, LEU93A, LEU93B, LYS117A, LYS117B, LYS137A, LYS137B, LYS142A, LYS142B, LYS144B, LYS163A, LYS163B, LYS170A, LYS170B, LYS171A, LYS171B, LYS192A, LYS192B, LYS202A, LYS202B, LYS203A, LYS203B, LYS204A, LYS204B, LYS274A, LYS274B, LYS276A, LYS276B, LYS95A, LYS95B, MET109A, MET109B, MET141A, MET141B, MET161A, MET161B, MET282A, MET282B, MET82A, MET82B, MET84A, MET84B, PHE101A, PHE101B, PHE133A, PHE133B, PHE191A, PHE191B, PHE197A, PHE197B, PHE72A, PHE72B, PHE89A, PHE89B, PRO108A, PRO108B, PRO123A, PRO123B, PRO130A, PRO130B, PRO139B, PRO236A, PRO236B, PRO250A, PRO250B, PRO264A, PRO264B, PRO271A, PRO271B, PRO71A, PRO71B, PRO78A, PRO78B, SER103A, SER103B, SER124A, SER124B, SER212A, SER212B, SER214A, SER214B, SER265A, SER265B, SER66A, SER66B, SER73A, SER73B, SER86A, SER86B, SER98A, SER98B, THR121A, THR121B, THR128A, THR128B, THR132A, THR132B, THR167A, THR167B, THR174A, THR174B, THR231A, THR231B, THR233A, THR233B, THR234A, THR234B, THR235A, THR235B, THR269A, THR269B, THR284A, THR284B, THR75A, THR75B, TRP131A, TRP131B, TRP165A, TRP165B, TYR207A, TYR207B, TYR208A, TYR208B, TYR263A, TYR263B, TYR77A, TYR77B, TYR90A, TYR90B, VAL107A, VAL107B, VAL111A, VAL111B, VAL115A, VAL115B, VAL134A, VAL134B, VAL135A, VAL135B, VAL136A, VAL136B, VAL166A, VAL166B, VAL186A, VAL186B, VAL205A, VAL205B, VAL213A, VAL213B, VAL230A, VAL230B, VAL232A, VAL232B, VAL245B, VAL257A, VAL257B, VAL261B, VAL270A, VAL270B, VAL283A, VAL283B, VAL285A, VAL285B, VAL67A, VAL67B, VAL99A, VAL99B
• A-C: ARG266A, HIS74C, ILE70C, PHE72C, PRO71C, SER73C
• A-D: ALA268D, ARG266A, ARG266D, ASP267A, ASP267D, PRO264D, SER265D, THR269D
• B-C: ARG76C, PRO71B, SER73B, THR75C
• C-D: ALA118C, ALA118D, ALA119C, ALA119D, ALA122C, ALA122D, ALA126C, ALA126D, ALA198C, ALA216C, ALA216D, ALA222C, ALA222D, ALA223C, ALA223D, ALA227C, ALA227D, ALA268C, ALA268D, ALA277C, ALA277D, ARG100C, ARG100D, ARG164C, ARG164D, ARG173C, ARG173D, ARG244C, ARG249C, ARG249D, ARG266C, ARG266D, ARG275C, ARG275D, ARG76C, ARG76D, ARG83C, ARG83D, ARG85C, ARG85D, ARG96C, ARG96D, ARG97C, ARG97D, ASN114C, ASN114D, ASN200C, ASN226C, ASN226D, ASN238C, ASN238D, ASN94C, ASN94D, ASP138C, ASP138D, ASP140C, ASP140D, ASP168C, ASP168D, ASP267C, ASP267D, ASP272C, ASP272D, ASP279C, ASP279D, CYS217C, CYS217D, CYS239D, GLN193C, GLN193D, GLN225C, GLN225D, GLN280C, GLN280D, GLN80C, GLN80D, GLN87C, GLN87D, GLU105C, GLU105D, GLU110C, GLU110D, GLU113C, GLU113D, GLU129C, GLU129D, GLU153D, GLU210C, GLU210D, GLU253C, GLU253D, GLU68C, GLU68D, GLU79C, GLU79D, GLU81C, GLU81D, GLU88C, GLU88D, GLU91C, GLU91D, GLY120C, GLY120D, GLY125C, GLY125D, GLY162C, GLY162D, GLY196C, GLY196D, GLY218C, GLY218D, GLY228C, GLY228D, GLY248C, GLY248D, GLY262C, GLY262D, HIS106C, HIS106D, HIS127C, HIS127D, HIS206C, HIS206D, HIS286C, HIS286D, HIS69C, HIS69D, HIS74C, HIS74D, ILE102C, ILE112C, ILE112D, ILE116C, ILE116D, ILE145C, ILE145D, ILE188C, ILE188D, ILE190C, ILE190D, ILE211C, ILE211D, ILE215C, ILE215D, ILE281C, ILE281D, ILE70C, ILE70D, LEU169C, LEU169D, LEU172C, LEU172D, LEU187C, LEU187D, LEU189C, LEU189D, LEU219C, LEU219D, LEU220C, LEU220D, LEU221C, LEU221D, LEU224C, LEU224D, LEU229C, LEU229D, LEU237C, LEU237D, LEU243C, LEU246C, LEU246D, LEU247C, LEU247D, LEU255C, LEU255D, LEU256C, LEU256D, LEU259C, LEU259D, LEU273C, LEU273D, LEU278C, LEU278D, LEU92C, LEU92D, LEU93C, LEU93D, LYS117C, LYS117D, LYS137C, LYS137D, LYS142C, LYS142D, LYS144D, LYS163C, LYS163D, LYS170C, LYS170D, LYS171C, LYS171D, LYS192C, LYS192D, LYS202C, LYS202D, LYS203C, LYS203D, LYS204C, LYS204D, LYS274C, LYS274D, LYS276C, LYS276D, LYS95C, LYS95D, MET109C, MET109D, MET141C, MET141D, MET161C, MET161D, MET282C, MET282D, MET82C, MET82D, MET84C, MET84D, PHE101C, PHE101D, PHE133C, PHE133D, PHE191C, PHE191D, PHE197C, PHE197D, PHE72C, PHE72D, PHE89C, PHE89D, PRO108C, PRO108D, PRO123C, PRO123D, PRO130C, PRO130D, PRO139C, PRO139D, PRO236C, PRO236D, PRO250C, PRO250D, PRO264C, PRO264D, PRO271C, PRO271D, PRO71C, PRO71D, PRO78C, PRO78D, SER103C, SER103D, SER124C, SER124D, SER212C, SER212D, SER214C, SER214D, SER265C, SER265D, SER66C, SER73C, SER73D, SER86C, SER86D, SER98C, SER98D, THR121C, THR121D, THR128C, THR128D, THR132C, THR132D, THR167C, THR167D, THR174C, THR174D, THR231C, THR231D, THR233C, THR233D, THR234C, THR234D, THR235C, THR235D, THR269C, THR269D, THR284C, THR284D, THR75C, THR75D, TRP131C, TRP131D, TRP165C, TRP165D, TYR207C, TYR207D, TYR208C, TYR208D, TYR263C, TYR263D, TYR77C, TYR77D, TYR90C, TYR90D, VAL107C, VAL107D, VAL111C, VAL111D, VAL115C, VAL115D, VAL134C, VAL134D, VAL135C, VAL135D, VAL136C, VAL136D, VAL166C, VAL166D, VAL186C, VAL186D, VAL205C, VAL205D, VAL213C, VAL213D, VAL230C, VAL230D, VAL232C, VAL232D, VAL245C, VAL257C, VAL257D, VAL261C, VAL261D, VAL270C, VAL270D, VAL283C, VAL283D, VAL285C, VAL285D, VAL67C, VAL67D, VAL99C, VAL99D
• C-G: ALA268G, ARG173G, ARG266G, ASP138C, ASP267G, ASP272G, GLU105C, GLU110C, GLU113C, HIS106C, LYS137C, MET109C, MET141C, PHE101G, PRO108C, PRO139C, PRO185C, SER104C, SER265G, THR269G, TYR263C, VAL107C, VAL186C, VAL270G
• C-H: ALA184C, ARG266C, ARG76H, ASP138C, ASP140C, ASP182C, GLU105C, GLU68H, HIS106C, HIS69H, HIS74H, ILE70H, LYS137C, LYS142C, MET141C, PHE72H, PRO139C, PRO185C, PRO71H, SER103C, SER104C, SER265C, SER73H, THR183C, THR75H, TYR263C, VAL107C, VAL186C, VAL67H
• D-G: ARG173G, ARG266G, ARG76D, ASP267G, GLU79D, HIS286D, THR269G, THR284D, VAL285D
• D-H: ARG76D, GLU68H, GLU79D, HIS69H, VAL67H
• E-F: ALA118E, ALA118F, ALA119E, ALA119F, ALA122E, ALA122F, ALA126E, ALA126F, ALA198E, ALA216E, ALA216F, ALA222E, ALA222F, ALA223E, ALA223F, ALA227E, ALA227F, ALA268E, ALA268F, ALA277E, ALA277F, ARG100E, ARG100F, ARG164E, ARG164F, ARG173E, ARG173F, ARG249E, ARG249F, ARG266E, ARG266F, ARG275E, ARG275F, ARG76E, ARG76F, ARG83E, ARG83F, ARG85E, ARG85F, ARG96E, ARG96F, ARG97E, ARG97F, ASN114E, ASN114F, ASN156E, ASN156F, ASN226E, ASN226F, ASN238E, ASN238F, ASN94E, ASN94F, ASP138E, ASP138F, ASP140E, ASP140F, ASP168E, ASP168F, ASP267E, ASP267F, ASP272E, ASP272F, ASP279E, ASP279F, CYS217E, CYS217F, GLN193E, GLN193F, GLN225E, GLN225F, GLN280E, GLN280F, GLN80E, GLN80F, GLN87E, GLN87F, GLU105E, GLU105F, GLU110E, GLU110F, GLU113E, GLU113F, GLU129E, GLU129F, GLU210E, GLU210F, GLU253E, GLU253F, GLU68E, GLU68F, GLU79E, GLU79F, GLU81E, GLU81F, GLU88E, GLU88F, GLU91E, GLU91F, GLY120E, GLY120F, GLY125E, GLY125F, GLY162E, GLY162F, GLY196E, GLY196F, GLY218E, GLY218F, GLY228E, GLY228F, GLY248E, GLY248F, GLY262E, GLY262F, HIS106E, HIS106F, HIS127E, HIS127F, HIS195E, HIS195F, HIS206E, HIS206F, HIS286E, HIS69E, HIS69F, HIS74E, HIS74F, ILE102F, ILE112E, ILE112F, ILE116E, ILE116F, ILE145E, ILE145F, ILE188E, ILE188F, ILE190E, ILE190F, ILE211E, ILE211F, ILE215E, ILE215F, ILE281E, ILE281F, ILE70E, ILE70F, LEU169E, LEU169F, LEU172E, LEU172F, LEU187E, LEU187F, LEU189E, LEU189F, LEU219E, LEU219F, LEU220E, LEU220F, LEU221E, LEU221F, LEU224E, LEU224F, LEU229E, LEU229F, LEU237E, LEU237F, LEU246E, LEU246F, LEU247E, LEU247F, LEU255E, LEU255F, LEU256E, LEU256F, LEU259E, LEU259F, LEU273E, LEU273F, LEU278E, LEU278F, LEU92E, LEU92F, LEU93E, LEU93F, LYS117E, LYS117F, LYS137E, LYS137F, LYS142E, LYS142F, LYS144F, LYS163E, LYS163F, LYS170E, LYS170F, LYS171E, LYS171F, LYS192E, LYS192F, LYS202E, LYS202F, LYS203E, LYS203F, LYS204E, LYS204F, LYS274E, LYS274F, LYS276E, LYS276F, LYS95E, LYS95F, MET109E, MET109F, MET141E, MET141F, MET161E, MET161F, MET282E, MET282F, MET82E, MET82F, MET84E, MET84F, PHE101E, PHE101F, PHE133E, PHE133F, PHE191E, PHE191F, PHE197E, PHE197F, PHE72E, PHE72F, PHE89E, PHE89F, PRO108E, PRO108F, PRO123E, PRO123F, PRO130E, PRO130F, PRO139E, PRO139F, PRO236E, PRO236F, PRO250E, PRO250F, PRO264E, PRO264F, PRO271E, PRO271F, PRO71E, PRO71F, PRO78E, PRO78F, SER103E, SER103F, SER124E, SER124F, SER212E, SER212F, SER214E, SER214F, SER265E, SER265F, SER66E, SER66F, SER73E, SER73F, SER86E, SER86F, SER98E, SER98F, THR121E, THR121F, THR128E, THR128F, THR132E, THR132F, THR167E, THR167F, THR174E, THR174F, THR231E, THR231F, THR233E, THR233F, THR234E, THR234F, THR235E, THR235F, THR269E, THR269F, THR284E, THR284F, THR75E, THR75F, TRP131E, TRP131F, TRP165E, TRP165F, TYR207E, TYR207F, TYR208E, TYR208F, TYR263E, TYR263F, TYR77E, TYR77F, TYR90E, TYR90F, VAL107E, VAL107F, VAL111E, VAL111F, VAL115E, VAL115F, VAL134E, VAL134F, VAL135E, VAL135F, VAL136E, VAL136F, VAL166E, VAL166F, VAL186E, VAL186F, VAL205E, VAL205F, VAL213E, VAL213F, VAL230E, VAL230F, VAL232E, VAL232F, VAL245F, VAL257E, VAL257F, VAL261F, VAL270E, VAL270F, VAL283E, VAL283F, VAL285E, VAL285F, VAL67E, VAL67F, VAL99E, VAL99F
• E-G: ARG266E, HIS74G, ILE70G, PHE72G, PRO71G, SER73G
• E-H: ALA268H, ARG266E, ARG266H, ASP267E, ASP267H, PRO264H, SER265H, THR269H
• F-G: ARG76G, PRO71F
• G-H: ALA118G, ALA118H, ALA119G, ALA119H, ALA122G, ALA122H, ALA126G, ALA126H, ALA198G, ALA216G, ALA216H, ALA222G, ALA222H, ALA223G, ALA223H, ALA227G, ALA227H, ALA268G, ALA268H, ALA277G, ALA277H, ARG100G, ARG100H, ARG164G, ARG164H, ARG173G, ARG173H, ARG244G, ARG249G, ARG249H, ARG266G, ARG266H, ARG275G, ARG275H, ARG76G, ARG76H, ARG83G, ARG83H, ARG85G, ARG85H, ARG96G, ARG96H, ARG97G, ARG97H, ASN114G, ASN114H, ASN156G, ASN209G, ASN226G, ASN226H, ASN238G, ASN238H, ASN94G, ASN94H, ASP138G, ASP138H, ASP140G, ASP140H, ASP168G, ASP168H, ASP267G, ASP267H, ASP272G, ASP272H, ASP279G, ASP279H, CYS217G, CYS217H, GLN193G, GLN193H, GLN225G, GLN225H, GLN280G, GLN280H, GLN80G, GLN80H, GLN87G, GLN87H, GLU105G, GLU105H, GLU110G, GLU110H, GLU113G, GLU113H, GLU129G, GLU129H, GLU153G, GLU153H, GLU210G, GLU210H, GLU253G, GLU253H, GLU68G, GLU68H, GLU79G, GLU79H, GLU81G, GLU81H, GLU88G, GLU88H, GLU91G, GLU91H, GLY120G, GLY120H, GLY125G, GLY125H, GLY162G, GLY162H, GLY196G, GLY196H, GLY218G, GLY218H, GLY228G, GLY228H, GLY248G, GLY248H, GLY262G, GLY262H, HIS106G, HIS106H, HIS127G, HIS127H, HIS206G, HIS206H, HIS286G, HIS286H, HIS69G, HIS69H, HIS74G, HIS74H, ILE112G, ILE112H, ILE116G, ILE116H, ILE145G, ILE145H, ILE188G, ILE188H, ILE190G, ILE190H, ILE211G, ILE211H, ILE215G, ILE215H, ILE281G, ILE281H, ILE70G, ILE70H, LEU169G, LEU169H, LEU172G, LEU172H, LEU187G, LEU187H, LEU189G, LEU189H, LEU219G, LEU219H, LEU220G, LEU220H, LEU221G, LEU221H, LEU224G, LEU224H, LEU229G, LEU229H, LEU237G, LEU237H, LEU243G, LEU246G, LEU246H, LEU247G, LEU247H, LEU255G, LEU255H, LEU256G, LEU256H, LEU259G, LEU259H, LEU273G, LEU273H, LEU278G, LEU278H, LEU92G, LEU92H, LEU93G, LEU93H, LYS117G, LYS117H, LYS137G, LYS137H, LYS142G, LYS142H, LYS163G, LYS163H, LYS170G, LYS170H, LYS171G, LYS171H, LYS192G, LYS192H, LYS202G, LYS202H, LYS203G, LYS203H, LYS204G, LYS204H, LYS274G, LYS274H, LYS276G, LYS276H, LYS95G, LYS95H, MET109G, MET109H, MET141G, MET141H, MET161G, MET161H, MET282G, MET282H, MET82G, MET82H, MET84G, MET84H, PHE101G, PHE101H, PHE133G, PHE133H, PHE191G, PHE191H, PHE197G, PHE197H, PHE72G, PHE72H, PHE89G, PHE89H, PRO108G, PRO108H, PRO123G, PRO123H, PRO130G, PRO130H, PRO139G, PRO139H, PRO236G, PRO236H, PRO250G, PRO250H, PRO264G, PRO264H, PRO271G, PRO271H, PRO71G, PRO71H, PRO78G, PRO78H, SER103G, SER103H, SER124G, SER124H, SER212G, SER212H, SER214G, SER214H, SER265G, SER265H, SER66G, SER73G, SER73H, SER86G, SER86H, SER98G, SER98H, THR121G, THR121H, THR128G, THR128H, THR132G, THR132H, THR167G, THR167H, THR174G, THR174H, THR231G, THR231H, THR233G, THR233H, THR234G, THR234H, THR235G, THR235H, THR269G, THR269H, THR284G, THR284H, THR75G, THR75H, TRP131G, TRP131H, TRP165G, TRP165H, TYR207G, TYR207H, TYR208G, TYR208H, TYR263G, TYR263H, TYR77G, TYR77H, TYR90G, TYR90H, VAL107G, VAL107H, VAL111G, VAL111H, VAL115G, VAL115H, VAL134G, VAL134H, VAL135G, VAL135H, VAL136G, VAL136H, VAL166G, VAL166H, VAL186G, VAL186H, VAL205G, VAL205H, VAL213G, VAL213H, VAL230G, VAL230H, VAL232G, VAL232H, VAL245G, VAL257G, VAL257H, VAL261G, VAL270G, VAL270H, VAL283G, VAL283H, VAL285G, VAL285H, VAL67G, VAL67H, VAL99G, VAL99H