3ISH

crystal structure of helicobacter pylori thioredoxin reductase

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 189
  • Norm. En. per Res.: -3.7976
• 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	-77.2021	-67.6539	-572.882	-717.738	189	8	12	22617	2	35	36
A-C	0.0	0.0	-0.0107	-0.0107	8	0	0	11	0	4	2
B-C	-49.9273	-120.6527	-215.351	-385.9311	128	11	0	9859	9	68	49

Interface residues

• A-B: ALA12A, ALA12B, ALA134A, ALA134B, ALA163A, ALA163B, ALA16A, ALA16B, ALA20A, ALA20B, ALA286A, ALA286B, ALA293A, ALA293B, ALA294A, ALA294B, ALA298A, ALA298B, ALA300A, ALA300B, ALA301A, ALA301B, ARG22A, ARG22B, ARG283A, ARG283B, ARG71A, ARG71B, ASN164A, ASN164B, ASN191A, ASN191B, ASN48A, ASN48B, ASP137A, ASP137B, ASP266A, ASP266B, ASP296A, ASP296B, CYS133A, CYS133B, CYS136A, CYS136B, CYS292A, CYS292B, CYS69A, CYS69B, GLN289A, GLN289B, GLN63A, GLN63B, GLN66A, GLN66B, GLN68A, GLN68B, GLU157A, GLU157B, GLU158B, GLU309A, GLU309B, GLU45A, GLU45B, GLU47A, GLU47B, GLU54A, GLU54B, GLU67A, GLU67B, GLY138A, GLY138B, GLY23A, GLY23B, GLY24A, GLY24B, GLY297A, GLY297B, GLY51A, GLY51B, GLY73A, GLY73B, HIS187A, HIS187B, HIS310A, HIS310B, HIS311A, ILE160A, ILE160B, ILE165A, ILE165B, ILE183A, ILE183B, ILE263B, ILE284A, ILE284B, ILE305A, ILE305B, ILE46A, ILE46B, LEU14A, LEU14B, LEU162A, LEU162B, LEU18A, LEU18B, LEU302A, LEU302B, LEU308A, LEU308B, LYS142A, LYS142B, LYS193A, LYS193B, LYS26A, LYS26B, LYS270A, LYS270B, LYS288A, LYS288B, LYS53A, LYS53B, MET269A, MET269B, MET62A, MET62B, PHE139A, PHE139B, PHE140A, PHE140B, PHE234A, PHE267A, PHE267B, PHE285A, PHE285B, PHE61A, PHE61B, PHE72A, PHE72B, PRO11A, PRO11B, PRO287A, PRO287B, PRO50A, PRO50B, PRO64A, PRO64B, SER15A, SER15B, SER268A, SER268B, SER295A, SER295B, SER303A, SER303B, SER306A, SER306B, THR135A, THR135B, THR184A, THR184B, THR21A, THR21B, THR299A, THR299B, TRP65A, TRP65B, TYR141A, TYR141B, TYR161A, TYR161B, TYR19A, TYR19B, TYR307A, TYR49A, TYR49B, VAL25A, VAL25B, VAL264A, VAL264B, VAL265A, VAL265B, VAL290A, VAL290B, VAL291A, VAL291B, VAL52A, VAL52B, VAL55A, VAL55B
• A-C: ALA221C, ARG175C, ASN223C, ASP266A, HIS310A, LYS256A, THR220C, THR222C
• B-C: ALA155C, ALA181B, ALA181C, ALA244B, ALA80B, ALA80C, ARG116B, ARG116C, ARG174B, ARG174C, ARG175B, ARG175C, ARG179B, ARG179C, ARG83B, ASN242C, ASN243B, ASN251B, ASN251C, ASN272B, ASP153B, ASP153C, ASP176B, ASP176C, ASP240B, ASP240C, ASP250B, ASP258B, ASP258C, ASP97B, ASP97C, CYS180B, CYS180C, CYS255B, CYS257B, GLN248B, GLN39C, GLN82B, GLN82C, GLU122C, GLU157B, GLU186B, GLU186C, GLU203C, GLU204C, GLU249B, GLU259B, GLU259C, GLU96B, GLU96C, GLY112C, GLY118C, GLY121C, GLY150C, GLY151B, GLY151C, GLY152B, GLY152C, GLY177B, GLY177C, GLY238B, GLY238C, GLY261B, GLY261C, GLY34C, GLY38C, GLY42C, GLY98B, HIS173B, HIS173C, ILE119C, ILE172C, ILE183B, ILE183C, ILE205C, ILE217C, ILE235C, ILE263B, ILE284B, LEU149C, LEU171C, LEU185B, LEU185C, LEU246B, LEU254B, LYS115B, LYS115C, LYS120C, LYS189C, LYS218C, LYS247B, LYS247C, LYS256B, LYS33C, MET253B, MET35C, PHE178B, PHE178C, PHE236C, PHE285B, PRO114C, PRO182B, PRO182C, PRO199C, SER113C, SER123C, SER216C, SER252B, SER262B, THR117C, THR154B, THR154C, THR184B, THR184C, THR220C, THR41C, TRP126C, TYR200C, TYR239B, TYR260B, TYR260C, VAL201C, VAL202C, VAL237B, VAL237C, VAL241B, VAL264B, VAL273B