3F8R

crystal structure of sulfolobus solfataricus thioredoxin reductase b3 in complex with two nadp molecules

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 213
  • Norm. En. per Res.: -5.0065
• Hub Node: A(1)

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	-123.0951	-227.9542	-713.97	-1065.0193	215	38	20	26834	14	54	33
C-D	-133.5531	-220.7251	-712.113	-1066.3912	213	36	19	26665	13	52	28

Interface residues

• A-B: ALA149A, ALA149B, ALA170A, ALA170B, ALA26A, ALA26B, ALA27A, ALA27B, ALA291A, ALA291B, ALA301A, ALA301B, ALA303A, ALA303B, ALA306A, ALA306B, ALA308A, ALA308B, ALA309A, ALA309B, ALA30A, ALA30B, ALA31A, ALA31B, ALA35A, ALA35B, ARG276B, ARG296A, ARG296B, ARG314A, ARG314B, ARG36A, ARG36B, ASN77A, ASN77B, ASP148A, ASP148B, ASP164A, ASP164B, ASP272A, ASP272B, ASP59A, ASP59B, ASP60A, ASP60B, ASP71A, ASP71B, CYS144A, CYS144B, CYS147A, CYS147B, GLN192A, GLN192B, GLN297A, GLN297B, GLN304A, GLN304B, GLU168A, GLU168B, GLU171A, GLU171B, GLU197A, GLU197B, GLU273A, GLU273B, GLU318A, GLU318B, GLU66A, GLU66B, GLU81A, GLU81B, GLU84A, GLY169A, GLY169B, GLY24A, GLY24B, GLY294A, GLY294B, GLY29A, GLY29B, GLY305A, GLY305B, GLY63A, GLY63B, HIS79A, HIS79B, ILE172A, ILE172B, ILE194A, ILE194B, ILE299A, ILE299B, ILE57A, ILE57B, ILE65A, ILE65B, ILE67A, ILE67B, ILE73A, ILE73B, ILE80A, ILE80B, LEU151A, LEU151B, LEU167A, LEU167B, LEU173A, LEU173B, LEU293A, LEU293B, LEU32A, LEU32B, LEU39A, LEU39B, LEU52A, LEU52B, LEU62A, LEU62B, LEU64A, LEU64B, LYS153A, LYS153B, LYS201A, LYS201B, LYS202A, LYS202B, LYS270A, LYS319A, LYS319B, LYS74A, LYS74B, LYS78A, LYS78B, LYS82A, LYS82B, MET275A, MET275B, MET38A, MET38B, MET72A, MET72B, PHE295A, PHE295B, PHE76A, PHE76B, PRO150A, PRO150B, PRO193B, PRO25A, PRO25B, SER145A, SER145B, SER165A, SER165B, SER174A, SER174B, SER175A, SER175B, SER177A, SER177B, SER290A, SER290B, SER311A, SER311B, SER34A, SER34B, THR198A, THR198B, THR289A, THR300A, THR300B, THR310A, THR310B, THR317A, THR317B, TRP274A, TRP274B, TRP292A, TRP292B, TYR176A, TYR176B, TYR195A, TYR195B, TYR28A, TYR28B, TYR313A, TYR313B, TYR315A, TYR315B, TYR33A, TYR33B, TYR37A, TYR37B, TYR61A, TYR61B, TYR83A, TYR83B, VAL146A, VAL146B, VAL199A, VAL199B, VAL271A, VAL271B, VAL298A, VAL298B, VAL302A, VAL302B, VAL307A, VAL307B, VAL316A, VAL316B, VAL58A, VAL58B, VAL75A, VAL75B
• C-D: ALA149C, ALA149D, ALA170C, ALA170D, ALA26C, ALA26D, ALA27C, ALA27D, ALA291C, ALA291D, ALA301C, ALA301D, ALA303C, ALA303D, ALA306C, ALA306D, ALA308C, ALA308D, ALA309C, ALA309D, ALA30C, ALA30D, ALA31C, ALA31D, ALA35C, ALA35D, ARG276C, ARG276D, ARG296C, ARG296D, ARG314C, ARG314D, ARG36C, ARG36D, ASN77C, ASN77D, ASP148C, ASP148D, ASP164C, ASP164D, ASP272C, ASP272D, ASP59C, ASP59D, ASP60C, ASP60D, ASP71C, ASP71D, CYS144C, CYS144D, CYS147C, CYS147D, GLN192C, GLN192D, GLN297C, GLN297D, GLN304C, GLN304D, GLU168C, GLU168D, GLU171C, GLU171D, GLU197C, GLU197D, GLU273C, GLU273D, GLU318C, GLU318D, GLU66C, GLU66D, GLU81C, GLU81D, GLU84C, GLY169C, GLY169D, GLY24C, GLY24D, GLY294C, GLY294D, GLY29C, GLY29D, GLY305C, GLY305D, GLY63C, GLY63D, HIS79C, HIS79D, ILE172C, ILE172D, ILE194C, ILE194D, ILE299C, ILE299D, ILE57C, ILE57D, ILE65C, ILE65D, ILE67C, ILE67D, ILE73C, ILE73D, ILE80C, ILE80D, LEU151C, LEU151D, LEU167C, LEU167D, LEU173C, LEU173D, LEU293C, LEU293D, LEU32C, LEU32D, LEU39C, LEU39D, LEU52C, LEU52D, LEU62C, LEU62D, LEU64C, LEU64D, LYS153C, LYS153D, LYS201D, LYS202C, LYS202D, LYS270C, LYS270D, LYS319C, LYS74C, LYS74D, LYS78C, LYS78D, LYS82C, LYS82D, MET275C, MET275D, MET38C, MET38D, MET72C, MET72D, PHE295C, PHE295D, PHE76C, PHE76D, PRO150C, PRO150D, PRO25C, PRO25D, SER145C, SER145D, SER165C, SER165D, SER174C, SER174D, SER175C, SER175D, SER177C, SER177D, SER290C, SER290D, SER311C, SER311D, SER34C, SER34D, THR198C, THR198D, THR289D, THR300C, THR300D, THR310C, THR310D, THR317C, THR317D, TRP274C, TRP274D, TRP292C, TRP292D, TYR176C, TYR176D, TYR195C, TYR195D, TYR28C, TYR28D, TYR313C, TYR313D, TYR315D, TYR33C, TYR33D, TYR37C, TYR37D, TYR61C, TYR61D, TYR83C, TYR83D, VAL146C, VAL146D, VAL199C, VAL199D, VAL271C, VAL271D, VAL298C, VAL298D, VAL302C, VAL302D, VAL307C, VAL307D, VAL316C, VAL316D, VAL58C, VAL58D, VAL75C, VAL75D