2ZZ0

crystal structure of human thioredoxin reductase i (secys 498 cys)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 55
  • Norm. En. per Res.: -6.5397
• 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	-168.7723	-1.5126	-1052.28	-1222.5649	312	53	35	43564	2	72	55
A-C	-31.1917	-208.2039	-120.287	-359.6826	55	7	0	4205	12	24	24
A-D	0.0	-8.158	-15.7931	-23.9511	23	0	0	843	0	10	10
B-C	-4.1323	-19.624	-15.5675	-39.3238	23	3	0	1080	2	10	10
B-D	-18.9096	114.1634	-101.625	-6.3712	106	2	0	5005	0	81	78
C-D	-151.2626	30.1237	-999.499	-1120.6379	288	56	35	42341	3	71	56

Interface residues

• A-B: ALA104A, ALA104B, ALA119B, ALA210A, ALA210B, ALA346A, ALA346B, ALA349A, ALA349B, ALA382A, ALA382B, ALA445A, ALA445B, ALA453A, ALA453B, ALA454A, ALA454B, ALA455A, ALA455B, ALA476A, ALA476B, ALA495A, ALA73A, ALA73B, ALA74A, ALA74B, ALA79A, ALA79B, ARG100A, ARG100B, ARG117B, ARG351A, ARG351B, ARG416A, ARG416B, ARG434A, ARG434B, ARG84A, ARG84B, ASN107A, ASN107B, ASN113B, ASN369A, ASN369B, ASN418B, ASN444A, ASN444B, ASN85A, ASN85B, ASP366A, ASP366B, ASP466A, ASP466B, ASP82A, ASP82B, ASP97A, ASP97B, ASP99A, ASP99B, CYS365A, CYS365B, CYS383A, CYS383B, CYS458A, CYS458B, CYS475A, CYS475B, CYS497A, CYS498A, CYS59A, CYS59B, CYS64A, CYS64B, GLN106A, GLN106B, GLN33B, GLN348A, GLN348B, GLN355A, GLN355B, GLN450A, GLN450B, GLN464A, GLN464B, GLN72A, GLN72B, GLN78A, GLN78B, GLN81A, GLN81B, GLU103A, GLU103B, GLU122B, GLU204A, GLU30B, GLU368A, GLU368B, GLU379A, GLU379B, GLU410A, GLU410B, GLU447A, GLU447B, GLU477A, GLU477B, GLU91A, GLU91B, GLY110B, GLY115B, GLY211A, GLY211B, GLY213A, GLY213B, GLY381A, GLY381B, GLY446A, GLY446B, GLY451A, GLY451B, GLY459A, GLY459B, GLY470A, GLY470B, GLY496A, GLY499A, GLY56B, GLY63A, GLY63B, GLY77A, GLY77B, GLY87A, GLY87B, HIS108A, HIS108B, HIS472A, HIS472B, HIS71A, HIS71B, HIS96A, HIS96B, ILE102A, ILE102B, ILE109A, ILE109B, ILE212A, ILE212B, ILE347A, ILE347B, ILE413A, ILE413B, ILE469A, ILE469B, ILE471A, ILE471B, ILE65A, ILE65B, LEU112A, LEU112B, LEU120B, LEU209A, LEU214A, LEU214B, LEU25B, LEU342A, LEU342B, LEU352A, LEU352B, LEU409A, LEU409B, LEU456A, LEU456B, LEU460A, LEU460B, LEU465A, LEU465B, LEU482A, LEU482B, LEU69A, LEU69B, LEU75A, LEU75B, LEU76A, LEU76B, LEU80A, LEU80B, LYS123B, LYS29B, LYS364A, LYS364B, LYS457A, LYS457B, LYS462A, LYS462B, LYS463A, LYS463B, LYS67A, LYS67B, LYS68A, LYS68B, LYS89A, LYS89B, LYS95A, LYS95B, MET101A, MET101B, MET70A, MET70B, PHE208A, PHE208B, PHE375A, PHE375B, PHE406A, PHE406B, PHE438A, PHE438B, PHE452A, PHE452B, PHE479A, PHE479B, PRO344A, PRO344B, PRO371A, PRO371B, PRO408A, PRO408B, PRO414A, PRO414B, PRO443A, PRO443B, PRO473A, PRO473B, PRO66A, PRO66B, SER111A, SER111B, SER22A, SER22B, SER415A, SER415B, SER467A, SER467B, SER483A, SER483B, SER83A, SER83B, THR343A, THR343B, THR372A, THR372B, THR373A, THR373B, THR412A, THR412B, THR449A, THR449B, THR461A, THR461B, THR468A, THR468B, THR480A, THR480B, THR481A, THR481B, THR93A, THR93B, TRP114B, TRP407A, TRP407B, TRP411A, TRP411B, TRP88A, TRP88B, TRP98A, TRP98B, TYR116A, TYR116B, TYR200B, TYR367A, TYR367B, TYR380A, TYR380B, TYR86A, TYR86B, VAL105A, VAL105B, VAL118B, VAL340A, VAL340B, VAL345A, VAL345B, VAL363A, VAL363B, VAL370A, VAL370B, VAL374A, VAL374B, VAL435A, VAL435B, VAL440A, VAL440B, VAL448A, VAL448B, VAL474A, VAL474B, VAL478A, VAL478B, VAL60A, VAL60B, VAL90A, VAL90B, VAL94A, VAL94B
• A-C: ALA104A, ALA104C, ALA119A, ALA119C, ARG100A, ARG100C, ARG117A, ARG117C, ARG121A, ARG121C, ASN107A, ASN107C, ASN113A, ASN113C, ASP97A, ASP97C, ASP99A, ASP99C, GLN106A, GLN106C, GLU103A, GLU103C, GLU122A, GLU122C, GLY110A, GLY110C, GLY115A, GLY115C, HIS108A, HIS108C, ILE102A, ILE102C, LEU112A, LEU112C, LEU120A, LEU120C, LYS123A, LYS123C, LYS124A, LYS124C, LYS95A, MET101A, MET101C, SER111A, SER111C, TRP114A, TRP114C, TRP98A, TRP98C, TYR127A, TYR127C, VAL105A, VAL105C, VAL118A, VAL118C
• A-D: ARG121A, ARG84D, ASN85D, GLN81D, GLU122A, GLU91D, GLU92D, GLY115A, GLY87D, ILE413D, LYS123A, LYS124A, LYS89D, PRO414D, SER111A, SER415D, SER83D, THR412D, TRP114A, TRP88D, TYR86D, VAL118A, VAL90D
• B-C: ALA119C, ARG121C, ARG84B, ASN85B, GLN33C, GLU122C, GLU91B, GLU92B, GLY115C, GLY87B, ILE413B, LYS123C, LYS124C, LYS89B, PRO414B, SER415B, SER83B, THR412B, TRP114C, TRP88B, TYR86B, VAL118C, VAL90B
• B-D: ALA490B, ALA490D, ARG221B, ARG221D, ARG226B, ARG226D, ARG249B, ARG249D, ARG416B, ARG416D, ARG487B, ARG487D, ASN234B, ASN234D, ASN275B, ASN275D, ASN418B, ASN418D, ASN419B, ASN419D, ASP215B, ASP215D, ASP231B, ASP231D, ASP417B, ASP417D, GLN230B, GLN230D, GLN250B, GLN250D, GLN78D, GLN81B, GLN81D, GLU238B, GLU238D, GLU241B, GLU241D, GLU242B, GLU242D, GLU277B, GLU277D, GLU278B, GLU278D, GLU283B, GLU283D, GLU387D, GLU396B, GLU396D, GLU92B, GLU92D, GLY213B, GLY237B, GLY237D, GLY244B, GLY244D, GLY282B, GLY282D, GLY489B, GLY489D, HIS239B, HIS239D, HIS243B, HIS243D, ILE223B, ILE223D, ILE248B, ILE248D, ILE492B, ILE492D, LEU224B, LEU224D, LEU493B, LEU493D, LYS192B, LYS192D, LYS235B, LYS235D, LYS246B, LYS246D, LYS420B, LYS420D, LYS486B, LYS486D, MET240D, PHE247B, PHE247D, PHE251B, PHE251D, SER222B, SER222D, SER273B, SER273D, SER276B, SER276D, SER415B, SER415D, SER491B, SER491D, THR274B, THR274D, THR93B, THR93D, TYR405B, TYR405D, VAL220B, VAL220D
• C-D: ALA104C, ALA104D, ALA210C, ALA210D, ALA346C, ALA346D, ALA349C, ALA349D, ALA382C, ALA382D, ALA445C, ALA445D, ALA453C, ALA453D, ALA454C, ALA454D, ALA455C, ALA455D, ALA476C, ALA476D, ALA73C, ALA73D, ALA74C, ALA74D, ALA79C, ALA79D, ARG100C, ARG100D, ARG351C, ARG351D, ARG416C, ARG416D, ARG434C, ARG434D, ARG84C, ARG84D, ASN107C, ASN107D, ASN369C, ASN369D, ASN418C, ASN418D, ASN444C, ASN444D, ASN85C, ASN85D, ASP366C, ASP366D, ASP466C, ASP466D, ASP82C, ASP82D, ASP97C, ASP97D, ASP99C, ASP99D, CYS365C, CYS365D, CYS383C, CYS383D, CYS458C, CYS458D, CYS475C, CYS475D, CYS59C, CYS59D, CYS64C, CYS64D, GLN106C, GLN106D, GLN33D, GLN348C, GLN348D, GLN450C, GLN450D, GLN464C, GLN464D, GLN72C, GLN72D, GLN78C, GLN78D, GLN81C, GLN81D, GLU103C, GLU103D, GLU204D, GLU368C, GLU368D, GLU379C, GLU379D, GLU410C, GLU410D, GLU447C, GLU447D, GLU477C, GLU477D, GLU91C, GLU91D, GLY211C, GLY211D, GLY213C, GLY213D, GLY381C, GLY381D, GLY446C, GLY446D, GLY451C, GLY451D, GLY459C, GLY459D, GLY470C, GLY470D, GLY63C, GLY63D, GLY77C, GLY77D, GLY87C, GLY87D, HIS108C, HIS108D, HIS472C, HIS472D, HIS71C, HIS71D, HIS96C, HIS96D, ILE102C, ILE102D, ILE109C, ILE109D, ILE212C, ILE212D, ILE347C, ILE347D, ILE413C, ILE413D, ILE469C, ILE469D, ILE471C, ILE471D, ILE65C, ILE65D, LEU112C, LEU112D, LEU214D, LEU342C, LEU342D, LEU352C, LEU352D, LEU409C, LEU409D, LEU456C, LEU456D, LEU460C, LEU460D, LEU465C, LEU465D, LEU482C, LEU482D, LEU69C, LEU69D, LEU75C, LEU75D, LEU76C, LEU76D, LEU80C, LEU80D, LYS364C, LYS364D, LYS457C, LYS457D, LYS462C, LYS462D, LYS463C, LYS463D, LYS67C, LYS67D, LYS68C, LYS68D, LYS89C, LYS89D, LYS95C, LYS95D, MET101C, MET101D, MET70C, MET70D, PHE208C, PHE208D, PHE375C, PHE375D, PHE406C, PHE406D, PHE438C, PHE438D, PHE452C, PHE452D, PHE479C, PHE479D, PRO344C, PRO344D, PRO371C, PRO371D, PRO408C, PRO408D, PRO414C, PRO414D, PRO443C, PRO443D, PRO473C, PRO473D, PRO66C, PRO66D, SER111C, SER111D, SER22C, SER22D, SER415C, SER415D, SER467C, SER467D, SER483C, SER483D, SER83C, SER83D, THR343C, THR343D, THR372C, THR372D, THR373C, THR373D, THR412C, THR412D, THR449C, THR449D, THR461C, THR461D, THR468C, THR468D, THR480C, THR480D, THR481C, THR481D, THR93C, THR93D, TRP407C, TRP407D, TRP411C, TRP411D, TRP88C, TRP88D, TRP98C, TRP98D, TYR116C, TYR116D, TYR367C, TYR367D, TYR380C, TYR380D, TYR86C, TYR86D, VAL105C, VAL105D, VAL340C, VAL340D, VAL345C, VAL345D, VAL363C, VAL363D, VAL370C, VAL370D, VAL374C, VAL374D, VAL435C, VAL435D, VAL440D, VAL448C, VAL448D, VAL474C, VAL474D, VAL478C, VAL478D, VAL60C, VAL60D, VAL90C, VAL90D, VAL94C, VAL94D