2CFY

crystal structure of human thioredoxin reductase 1

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 292
  • Norm. En. per Res.: -4.2372
• Hub Node: A(2)

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	-181.7705	-12.2093	-1043.28	-1237.2598	292	34	35	42476	2	73	58
A-C	0.0	0.0	-9.5567	-9.5567	19	0	0	517	0	9	12
B-C	-6.4202	0.0	128.753	122.3328	92	40	0	3991	0	28	26
B-D	0.0	0.0	-2.7175	-2.7175	24	0	0	290	0	9	13
C-D	-165.7677	-19.1399	-1021.3	-1206.2076	290	40	35	41954	2	73	58
C-E	0.0	0.0	-1.7169	-1.7169	17	0	0	185	0	13	16
D-E	0.0	0.0	-44.4721	-44.4721	46	0	0	1759	0	24	21
D-F	0.0	0.0	-1.7176	-1.7176	13	0	0	140	0	6	11
E-F	-145.9621	-9.0244	-977.377	-1132.3635	283	38	35	40441	2	74	58

Interface residues

• A-B: ALA104A, ALA104B, ALA210A, ALA210B, ALA346A, ALA346B, ALA349A, ALA349B, ALA382A, ALA382B, ALA445A, ALA445B, ALA453A, ALA453B, ALA454A, ALA454B, ALA455A, ALA455B, ALA476A, ALA476B, ALA73A, ALA73B, ALA74A, ALA74B, ALA79A, ALA79B, ARG100A, ARG100B, ARG351A, ARG351B, ARG416A, ARG416B, ARG434A, ARG434B, ARG84A, ARG84B, ASN107A, ASN107B, ASN369A, ASN369B, ASN444A, ASN444B, ASN85A, ASN85B, ASP366A, ASP366B, ASP466A, ASP466B, ASP82A, ASP82B, ASP97A, ASP97B, ASP99A, ASP99B, CYS365A, CYS365B, CYS383A, CYS383B, CYS458A, CYS458B, CYS475A, CYS475B, CYS59A, CYS59B, CYS64A, CYS64B, GLN106A, GLN106B, GLN33A, GLN33B, GLN348A, GLN348B, GLN355A, GLN355B, GLN450A, GLN450B, GLN464A, GLN464B, GLN72A, GLN72B, GLN78A, GLN78B, GLN81A, GLN81B, GLU103A, GLU103B, GLU204A, GLU204B, GLU368A, GLU368B, GLU379A, GLU379B, GLU410A, GLU410B, GLU447A, GLU447B, GLU477A, GLU477B, GLU91A, GLU91B, GLY211A, GLY211B, GLY213A, GLY213B, GLY381A, GLY381B, GLY446A, GLY446B, GLY451A, GLY451B, GLY459A, GLY459B, GLY470A, GLY470B, 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, LEU214A, LEU214B, LEU342A, LEU342B, LEU352A, LEU352B, LEU409A, LEU409B, LEU456A, LEU456B, LEU460A, LEU460B, LEU465A, LEU465B, LEU482A, LEU482B, LEU69A, LEU69B, LEU75A, LEU75B, LEU76A, LEU76B, LEU80A, LEU80B, 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, TRP407A, TRP407B, TRP411A, TRP411B, TRP88A, TRP88B, TRP98A, TRP98B, TYR116A, TYR116B, TYR367A, TYR367B, TYR380A, TYR380B, TYR86A, TYR86B, VAL105A, VAL105B, 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: ARG121C, ARG416A, ASN418A, ASN419A, ASN85A, ASP12C, ASP417A, GLU122C, GLU92A, ILE413A, LYS124C, LYS37C, PRO414A, SER415A, THR412A, TRP407A, TRP411A, VAL118C, VAL126C
• B-C: ALA119C, ALA198C, ALA202C, ALA206C, ALA233C, ARG100B, ARG100C, ARG117B, ARG117C, ARG121B, ARG121C, ARG249C, ASN107B, ASN107C, ASN113B, ASN113C, ASN129B, ASN129C, ASN144B, ASN144C, ASN145B, ASN145C, ASN234C, ASP97B, ASP97C, ASP99B, ASP99C, GLN106B, GLN106C, GLU103B, GLU103C, GLU122C, GLU128B, GLU128C, GLU204C, GLU238C, GLU241C, GLY110B, GLY110C, GLY115B, GLY115C, GLY237C, HIS108B, HIS108C, HIS239C, ILE109B, ILE236C, ILE245C, LEU112B, LEU112C, LEU203C, LEU224C, LEU225C, LEU378C, LEU441C, LYS146B, LYS146C, LYS148B, LYS148C, LYS150B, LYS150C, LYS235C, MET232C, MET240C, PHE247C, PRO187B, PRO187C, PRO377C, SER111B, SER111C, SER199C, THR376C, TRP114B, TRP114C, TRP1B, TYR116C, TYR127B, TYR127C, TYR13B, TYR13C, TYR152B, TYR152C, TYR188B, TYR200C, TYR380C, VAL118B, VAL118C, VAL126B, VAL126C, VAL218C, VAL220C, VAL374C
• B-D: ARG121B, ARG416D, ASN418D, ASN419D, ASN85D, ASP12B, ASP417D, GLU122B, GLU128B, GLU242D, GLU92D, HIS243D, LYS124B, LYS148B, LYS150B, LYS37B, LYS420D, LYS89D, PRO414D, SER415D, THR412D, TRP407D, VAL118B, VAL126B
• 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, 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, GLN348C, GLN348D, GLN355C, GLN355D, GLN450C, GLN450D, GLN464C, GLN464D, GLN72C, GLN72D, GLN78C, GLN78D, GLN81C, GLN81D, GLU103C, GLU103D, GLU204C, 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, LEU214C, 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, VAL440C, VAL440D, VAL448C, VAL448D, VAL474C, VAL474D, VAL478C, VAL478D, VAL60C, VAL60D, VAL90C, VAL90D, VAL94C, VAL94D
• C-E: ARG121E, ARG416C, ASN418C, ASN419C, ASN85C, ASP12E, GLU122E, GLU92C, LEU120E, LYS124E, SER415C, THR412C, TRP407C, TYR13E, VAL118E, VAL125E, VAL126E
• D-E: ALA119E, ARG100D, ARG100E, ARG117D, ARG117E, ARG121D, ARG121E, ASN107D, ASN107E, ASN113D, ASN129E, ASN144D, ASN144E, ASN145D, ASP97D, ASP99D, ASP99E, GLN106D, GLN106E, GLU103D, GLU103E, GLU122E, GLU128D, GLU128E, GLY110D, GLY110E, GLY115D, GLY115E, HIS108D, HIS108E, ILE109D, LEU112D, LEU112E, LYS146D, LYS146E, LYS148E, LYS150E, PRO187D, SER111D, SER111E, TRP114D, TRP114E, TYR127D, TYR127E, VAL118D, VAL118E
• D-F: ARG121D, ARG416F, ASN418F, ASN419F, ASP417F, GLU122D, GLU242F, LYS124D, LYS420F, SER415F, THR412F, TRP407F, VAL118D
• E-F: ALA104E, ALA104F, ALA210E, ALA210F, ALA346E, ALA346F, ALA349E, ALA349F, ALA382E, ALA382F, ALA445E, ALA445F, ALA453E, ALA453F, ALA454E, ALA454F, ALA455E, ALA455F, ALA476E, ALA476F, ALA73E, ALA73F, ALA74E, ALA74F, ALA79E, ALA79F, ARG100E, ARG100F, ARG351E, ARG351F, ARG416E, ARG416F, ARG434E, ARG434F, ARG84E, ARG84F, ASN107E, ASN107F, ASN369E, ASN369F, ASN418E, ASN444E, ASN444F, ASN85E, ASN85F, ASP366E, ASP366F, ASP466E, ASP466F, ASP82E, ASP82F, ASP97E, ASP97F, ASP99E, ASP99F, CYS365E, CYS365F, CYS383E, CYS383F, CYS458E, CYS458F, CYS475E, CYS475F, CYS59E, CYS59F, CYS64E, CYS64F, GLN106E, GLN106F, GLN348E, GLN348F, GLN355E, GLN450E, GLN450F, GLN464E, GLN464F, GLN72E, GLN72F, GLN78E, GLN78F, GLN81E, GLN81F, GLU103E, GLU103F, GLU368E, GLU368F, GLU379E, GLU379F, GLU410E, GLU410F, GLU447E, GLU447F, GLU477E, GLU477F, GLU91E, GLU91F, GLY211E, GLY211F, GLY213E, GLY213F, GLY381E, GLY381F, GLY446E, GLY446F, GLY451E, GLY451F, GLY459E, GLY459F, GLY470E, GLY470F, GLY63E, GLY63F, GLY77E, GLY77F, GLY87E, GLY87F, HIS108E, HIS108F, HIS472E, HIS472F, HIS71E, HIS71F, HIS96E, HIS96F, ILE102E, ILE102F, ILE109E, ILE109F, ILE212E, ILE212F, ILE347E, ILE347F, ILE413E, ILE413F, ILE469E, ILE469F, ILE471E, ILE471F, ILE65E, ILE65F, LEU112E, LEU112F, LEU214E, LEU214F, LEU342E, LEU342F, LEU352E, LEU352F, LEU409E, LEU409F, LEU456E, LEU456F, LEU460E, LEU460F, LEU465E, LEU465F, LEU69E, LEU69F, LEU75E, LEU75F, LEU76E, LEU76F, LEU80E, LEU80F, LYS364E, LYS364F, LYS457E, LYS457F, LYS463E, LYS463F, LYS67E, LYS67F, LYS68E, LYS68F, LYS89E, LYS89F, LYS95E, LYS95F, MET101E, MET101F, MET70E, MET70F, PHE208E, PHE208F, PHE375E, PHE375F, PHE406E, PHE406F, PHE438E, PHE438F, PHE452E, PHE452F, PHE479E, PHE479F, PRO344E, PRO344F, PRO371E, PRO371F, PRO408E, PRO408F, PRO414E, PRO414F, PRO443E, PRO443F, PRO473E, PRO473F, PRO66E, PRO66F, SER111E, SER111F, SER22E, SER22F, SER415E, SER415F, SER467E, SER467F, SER483F, SER83E, SER83F, THR343E, THR343F, THR372E, THR372F, THR373E, THR373F, THR412E, THR412F, THR449E, THR449F, THR461E, THR461F, THR468E, THR468F, THR480E, THR480F, THR481E, THR481F, THR93E, THR93F, TRP407E, TRP407F, TRP411E, TRP411F, TRP88E, TRP88F, TRP98E, TRP98F, TYR116E, TYR116F, TYR367E, TYR367F, TYR380E, TYR380F, TYR86E, TYR86F, VAL105E, VAL105F, VAL340E, VAL340F, VAL345E, VAL345F, VAL363E, VAL363F, VAL370E, VAL370F, VAL374E, VAL374F, VAL435E, VAL435F, VAL440E, VAL440F, VAL448E, VAL448F, VAL474E, VAL474F, VAL478E, VAL478F, VAL60E, VAL60F, VAL90E, VAL90F, VAL94E, VAL94F