3TJJ

crystal structure of human peroxiredoxin iv c245a mutant in sulfenylated form

• Total interactions analyzed: 10
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 104
  • Norm. En. per Res.: -3.7285
• 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	-87.4089	-29.402	-270.949	-387.7599	104	8	13	11013	2	32	25
B-C	0.0	18.8417	-197.255	-178.4133	83	0	7	7970	0	18	22
C-D	-86.3354	-27.951	-274.115	-388.4015	105	10	13	10895	2	32	25
D-E	0.0	19.0497	-198.064	-179.0143	84	1	7	7946	0	18	22

Interface residues

• A-B: ALA234A, ALA234B, ALA79A, ALA79B, ARG200A, ARG200B, ARG212A, ARG212B, ARG223A, ARG223B, ARG230A, ARG230B, ASN217A, ASN217B, ASP194A, ASP194B, ASP206A, ASP206B, ASP218A, ASP218B, ASP226A, ASP226B, ASP239A, ASP239B, GLN213A, GLN213B, GLN233A, GLN233B, GLN236A, GLN236B, GLU127A, GLU127B, GLU193A, GLU193B, GLU227A, GLU227B, GLY189A, GLY189B, GLY201A, GLY201B, GLY222A, GLY222B, GLY242A, GLY242B, ILE204A, ILE204B, ILE210A, ILE210B, ILE214A, ILE214B, ILE81A, ILE81B, LEU192A, LEU192B, LEU199A, LEU199B, LEU202A, LEU202B, LEU211A, LEU211B, LEU216A, LEU216B, LEU219A, LEU219B, LEU231A, LEU231B, LEU76A, LEU76B, LYS80A, LYS80B, LYS83A, LYS83B, PHE203A, PHE203B, PHE235A, PHE235B, PRO220A, PRO220B, SER224A, SER224B, SER77A, SER77B, SER82A, SER82B, THR215A, THR215B, THR228A, THR228B, THR238A, THR238B, TYR110A, TYR110B, TYR191A, TYR191B, TYR237A, TYR237B, VAL190A, VAL190B, VAL221A, VAL221B, VAL225A, VAL225B, VAL232A, VAL232B
• B-C: ALA158B, ALA158C, ASN161B, ASN161C, ASP119B, ASP119C, ASP151B, ASP151C, ASP179B, ASP179C, ASP194B, ASP194C, GLN153B, GLN153C, GLN166B, GLN166C, GLN183B, GLN183C, GLU193B, GLU193C, GLU97B, GLU97C, GLY167C, GLY196B, GLY196C, GLY96B, GLY96C, HIS156B, HIS156C, HIS182B, HIS182C, HIS197B, HIS197C, LEU118B, LEU118C, LEU157B, LEU157C, LEU180B, LEU180C, LEU192B, LEU192C, LYS186B, LYS186C, PHE120B, PHE120C, PHE122B, PHE122C, PHE154B, PHE154C, PHE98B, PHE98C, PRO117B, PRO117C, PRO163B, PRO163C, SER149B, SER149C, SER152B, SER152C, SER178B, SER178C, SER195B, SER195C, THR121B, THR121C, THR155B, THR155C, THR162B, THR162C, THR181B, THR181C, THR198B, THR198C, TRP159B, TRP159C, TYR191B, TYR191C, VAL123B, VAL123C, VAL150B, VAL150C, VAL93B, VAL93C
• C-D: ALA234C, ALA234D, ALA79C, ALA79D, ARG200C, ARG200D, ARG212C, ARG212D, ARG223C, ARG223D, ARG230C, ARG230D, ASN217C, ASN217D, ASP194C, ASP194D, ASP206C, ASP206D, ASP218C, ASP218D, ASP226C, ASP226D, ASP239C, ASP239D, GLN213C, GLN213D, GLN233C, GLN233D, GLN236C, GLN236D, GLU127C, GLU127D, GLU193C, GLU193D, GLU227C, GLU227D, GLY189C, GLY189D, GLY201C, GLY201D, GLY222C, GLY222D, GLY242C, GLY242D, HIS241D, ILE204C, ILE204D, ILE210C, ILE210D, ILE214C, ILE214D, ILE81C, ILE81D, LEU192C, LEU192D, LEU199C, LEU199D, LEU202C, LEU202D, LEU211C, LEU211D, LEU216C, LEU216D, LEU219C, LEU219D, LEU231C, LEU231D, LEU76C, LEU76D, LYS80C, LYS80D, LYS83C, LYS83D, PHE203C, PHE203D, PHE235C, PHE235D, PRO220C, PRO220D, SER224C, SER224D, SER77C, SER77D, SER82C, SER82D, THR215C, THR215D, THR228C, THR228D, THR238C, THR238D, TYR110C, TYR110D, TYR191C, TYR191D, TYR237C, TYR237D, VAL190C, VAL190D, VAL221C, VAL221D, VAL225C, VAL225D, VAL232C, VAL232D
• D-E: ALA158D, ALA158E, ASN161D, ASN161E, ASP119D, ASP119E, ASP151D, ASP151E, ASP179D, ASP179E, ASP194D, ASP194E, GLN153D, GLN153E, GLN166D, GLN166E, GLN183D, GLN183E, GLU193D, GLU193E, GLU97D, GLU97E, GLY167E, GLY168E, GLY196D, GLY196E, GLY96D, GLY96E, HIS156D, HIS156E, HIS182D, HIS182E, HIS197D, HIS197E, LEU118D, LEU118E, LEU157D, LEU157E, LEU180D, LEU180E, LEU192D, LEU192E, LYS186D, LYS186E, PHE120D, PHE120E, PHE122D, PHE122E, PHE154D, PHE154E, PHE98D, PHE98E, PRO117D, PRO117E, PRO163D, PRO163E, SER149D, SER149E, SER152D, SER152E, SER178D, SER178E, SER195D, SER195E, THR121D, THR121E, THR155D, THR155E, THR162D, THR162E, THR181D, THR181E, THR198D, THR198E, TRP159D, TRP159E, TYR191D, TYR191E, VAL123D, VAL123E, VAL150D, VAL150E, VAL93D, VAL93E