3QFB

crystal structure of the human thioredoxin reductase-thioredoxin complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 55
  • Norm. En. per Res.: -3.7788
• 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	-126.1496	-10.2623	-1011.53	-1147.9419	304	54	33	42226	2	73	57
A-C	-14.7573	-24.936	-135.048	-174.7413	56	12	0	4786	2	22	14
A-D	-7.6032	0.0	634.424	626.8208	21	3	0	1243	0	0	0
B-C	-4.0431	0.0	652.896	648.8529	22	3	0	1125	0	0	0
B-D	-18.0424	-55.8485	-133.941	-207.832	55	9	0	4561	3	21	10

Interface residues

• A-B: ALA104A, ALA104B, ALA210A, ALA210B, ALA346A, ALA346B, ALA349A, ALA349B, ALA382A, ALA382B, ALA445A, ALA445B, ALA453A, ALA453B, ALA454A, ALA454B, ALA455A, ALA455B, ALA476A, ALA476B, ALA495A, ALA495B, 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, CYS498A, CYS498B, CYS59A, CYS59B, CYS64A, CYS64B, GLN106A, GLN106B, GLN348A, GLN348B, 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, GLU92A, GLU92B, GLY110A, GLY110B, GLY115A, GLY115B, GLY211A, GLY211B, GLY213A, GLY213B, GLY381A, GLY381B, GLY446A, GLY446B, GLY451A, GLY451B, GLY459A, GLY459B, GLY470A, GLY470B, GLY496A, GLY496B, GLY499A, GLY499B, 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, 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, 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, SER497A, SER497B, SER83A, SER83B, THR343A, THR343B, THR372A, THR372B, THR373A, THR373B, THR412A, THR412B, THR449A, THR449B, THR461A, THR461B, THR468A, THR468B, THR480A, THR480B, THR481A, THR481B, THR93A, THR93B, TRP114A, TRP114B, TRP407A, TRP407B, TRP411A, TRP411B, TRP88A, TRP88B, TRP98A, TRP98B, TYR116A, TYR116B, TYR367A, TYR367B, TYR380A, TYR380B, TYR86A, TYR86B, VAL105A, VAL105B, VAL118A, 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, ALA119A, ALA29C, ALA66C, ARG100A, ARG117A, ARG121A, ARG52A, ASN107A, ASN113A, ASN129A, ASN145A, ASP58C, ASP60C, ASP61C, ASP64C, CYS32C, CYS62C, CYS69C, GLN106A, GLN63C, GLN78C, GLU103A, GLU122A, GLU68C, GLU6C, GLU70C, GLY110A, GLY115A, GLY33C, GLY54A, HIS108A, ILE109A, LEU112A, LEU120A, LEU55A, LYS146A, LYS36C, LYS72C, MET74C, PHE27C, SER111A, SER67C, SER73C, SER7C, THR30C, THR76C, TRP114A, TRP31C, TRP53A, TYR127A, VAL118A, VAL57C, VAL59C, VAL65C, VAL71C
• A-D: ALA29D, ALA495A, ALA92D, CYS32D, CYS498A, GLY33D, GLY496A, GLY499A, GLY91D, LYS36D, LYS72D, MET74D, PRO34D, PRO75D, SER28D, SER35D, SER415A, SER497A, SER73D, TRP31D, VAL71D
• B-C: ALA29C, ALA495B, CYS32C, CYS498B, GLY33C, GLY496B, GLY499B, GLY91C, LYS36C, LYS72C, MET74C, PRO34C, PRO75C, SER28C, SER35C, SER415B, SER497B, SER73C, SER90C, TRP31C, VAL59C, VAL71C
• B-D: ALA104B, ALA119B, ALA29D, ALA66D, ARG100B, ARG117B, ARG121B, ARG52B, ASN107B, ASN113B, ASN129B, ASN145B, ASP58D, ASP60D, ASP61D, ASP64D, CYS32D, CYS62D, CYS69D, GLN106B, GLN63D, GLN78D, GLU103B, GLU122B, GLU68D, GLU70D, GLY110B, GLY115B, GLY33D, GLY54B, HIS108B, ILE109B, LEU112B, LEU55B, LYS146B, LYS36D, LYS72D, MET74D, PHE27D, SER111B, SER67D, SER73D, SER7D, THR30D, THR76D, TRP114B, TRP31D, TRP53B, TYR116B, TYR127B, VAL105B, VAL118B, VAL59D, VAL65D, VAL71D