3ITJ

crystal structure of saccharomyces cerevisiae thioredoxin reductase 1 (trr1)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 199
  • Norm. En. per Res.: -4.1916
• Hub Node: B(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-C	-19.0829	50.4407	-118.295	-86.9372	70	5	0	4871	1	47	45
B-C	-72.1162	-111.3503	-650.657	-834.1235	199	34	4	24347	4	56	45
B-D	-13.1646	21.7638	-90.1929	-81.5936	62	1	0	4073	0	43	43

Interface residues

• A-C: ALA212C, ALA224A, ARG124C, ARG184C, ARG226A, ARG226C, ASN153A, ASN201A, ASN223A, ASN229A, ASN233A, ASN233C, ASN37C, ASP237A, GLU101C, GLU104C, GLU130C, GLU131C, GLU199A, GLU202A, GLU205A, GLU214A, GLU214C, GLU234A, GLU235A, GLU235C, GLY129C, GLY176A, GLY38C, HIS126C, ILE159C, ILE204A, ILE206A, ILE227A, ILE247C, ILE255C, LEU127C, LEU213A, LEU213C, LEU225A, LEU238A, LYS123C, LYS178A, LYS185C, LYS200A, LYS203A, LYS216A, LYS228A, LYS228C, LYS231A, LYS231C, LYS232A, LYS254C, LYS88C, MET125C, MET34C, PHE102C, PRO128C, PRO239A, SER177A, SER87C, THR100C, THR132C, THR173A, THR210C, THR230C, THR236A, TRP99C, VAL183C, VAL211C
• B-C: ALA13B, ALA13C, ALA142B, ALA142C, ALA147B, ALA17B, ALA17C, ALA18C, ALA190C, ALA198C, ALA22B, ALA22C, ALA24B, ALA24C, ALA296B, ALA296C, ALA300B, ALA300C, ALA306B, ALA306C, ALA307B, ALA307C, ALA310B, ALA310C, ARG152B, ARG152C, ARG197B, ARG197C, ARG23B, ARG23C, ARG294B, ARG294C, ARG69B, ARG69C, ARG71B, ARG71C, ASN201B, ASN53B, ASN53C, ASP145B, ASP145C, ASP163B, ASP163C, ASP290B, ASP290C, ASP309B, ASP309C, ASP59B, ASP59C, ASP68B, ASP68C, CYS141B, CYS141C, CYS144B, CYS144C, CYS166C, CYS304B, CYS304C, GLN170B, GLN170C, GLN289B, GLN289C, GLN295B, GLN295C, GLN73B, GLN73C, GLU167B, GLU167C, GLU25B, GLU25C, GLU311B, GLU311C, GLU318B, GLU50B, GLU50C, GLU52B, GLU52C, GLU65B, GLU65C, GLU72B, GLU72C, GLY11B, GLY11C, GLY146B, GLY146C, GLY273B, GLY273C, GLY301B, GLY301C, GLY303B, GLY303C, GLY56B, GLY56C, GLY60B, GLY60C, HIS15B, HIS15C, ILE193B, ILE19B, ILE19C, ILE26B, ILE26C, ILE297B, ILE297C, ILE51B, ILE51C, LEU21B, LEU21C, LEU276B, LEU276C, LEU308B, LEU308C, LEU314B, LEU314C, LEU317B, LEU317C, LEU61B, LEU61C, LEU66B, LEU66C, LYS174B, LYS174C, LYS196C, LYS200C, LYS27B, LYS27C, LYS292B, LYS292C, LYS312B, LYS312C, LYS4B, LYS4C, LYS76B, LYS76C, MET194B, MET305B, MET305C, MET67B, MET67C, MET70B, MET70C, PHE151B, PHE171B, PHE171C, PHE54B, PHE54C, PHE57B, PHE57C, PHE77B, PHE77C, PRO12B, PRO12C, PRO149B, PRO272B, PRO272C, PRO55B, PRO55C, PRO58B, PRO58C, SER164B, SER191C, SER274B, SER274C, SER275B, SER275C, SER291B, SER299B, SER299C, SER302B, SER302C, SER316B, SER316C, SER74B, SER74C, THR16B, THR16C, THR173B, THR192C, THR270B, THR270C, THR298B, THR298C, THR315B, THR315C, THR75B, THR75C, TYR175B, TYR175C, TYR20B, TYR20C, TYR293B, TYR293C, TYR313C, VAL143B, VAL143C, VAL148B, VAL148C, VAL271B, VAL271C
• B-D: ALA212B, ALA224D, ALA36B, ARG124B, ARG184B, ARG226B, ARG226D, ASN153D, ASN201D, ASN223D, ASN229D, ASN233D, ASN37B, ASP237D, GLU101B, GLU104B, GLU130B, GLU131B, GLU199D, GLU202D, GLU205D, GLU214B, GLU214D, GLU234D, GLU235D, GLY129B, GLY38B, HIS126B, ILE159B, ILE204D, ILE227D, LEU127B, LEU213B, LEU213D, LEU225D, LEU238D, LYS154D, LYS178D, LYS185B, LYS200D, LYS203D, LYS216D, LYS228B, LYS228D, LYS231D, LYS232D, LYS254B, MET125B, MET34B, MET35B, PHE102B, PHE180D, PRO128B, PRO155D, PRO239D, SER177D, SER87B, THR230B, THR236D, THR85B, TYR245B, VAL211B