3TJK

crystal structure of human peroxiredoxin iv c245a mutant in reduced form

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 208
  • Norm. En. per Res.: -4.4321
• 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	-194.5276	-28.2411	-678.751	-901.5197	207	32	33	27117	3	51	48
A-C	0.0	0.0	-9.737	-9.737	15	0	0	581	0	2	1
B-C	0.0	22.0009	-168.985	-146.9841	70	0	7	7241	0	20	22
B-D	0.0	0.0	-11.6555	-11.6555	15	0	0	649	0	1	1
C-D	-215.0229	-13.9715	-692.874	-921.8683	208	38	31	27458	2	52	49
C-E	0.0	0.0	-10.967	-10.967	15	0	0	610	0	2	1
D-E	0.0	21.3194	-168.6	-147.2806	71	0	7	7158	0	20	22

Interface residues

• A-B: ALA130A, ALA130B, ALA234A, ALA234B, ALA245A, ALA245B, ALA247A, ALA247B, ALA261A, ALA261B, ALA79A, ALA79B, ARG134A, ARG134B, ARG164A, ARG164B, ARG165A, ARG165B, ARG200A, ARG200B, ARG212A, ARG212B, ARG223A, ARG223B, ARG230A, ARG230B, ASN217A, ASN217B, ASP119A, ASP119B, ASP187A, ASP187B, ASP194A, ASP194B, ASP206A, ASP206B, ASP218A, ASP218B, ASP226A, ASP226B, ASP239A, ASP239B, ASP259A, ASP259B, ASP268A, ASP268B, CYS124A, CYS124B, GLN166A, GLN166B, GLN213A, GLN213B, GLN233A, GLN233B, GLN236A, GLN236B, GLU127A, GLU127B, GLU193A, GLU193B, GLU227A, GLU227B, GLU243A, GLU243B, GLU254A, GLU254B, GLY167A, GLY167B, GLY168A, GLY168B, GLY189A, GLY189B, GLY201A, GLY201B, GLY222A, GLY222B, GLY242A, GLY242B, GLY248A, GLY248B, GLY262A, GLY262B, HIS75A, HIS75B, ILE128A, ILE128B, ILE129A, ILE129B, ILE204A, ILE204B, ILE210A, ILE210B, ILE214A, ILE214B, ILE256A, ILE256B, ILE257A, ILE257B, ILE81A, ILE81B, LEU169A, LEU169B, LEU192A, LEU192B, LEU199A, LEU199B, LEU202A, LEU202B, LEU211A, LEU211B, LEU216A, LEU216B, LEU219A, LEU219B, LEU231A, LEU231B, LEU264A, LEU264B, LEU74A, LEU74B, LEU76A, LEU76B, LYS186B, LYS250A, LYS250B, LYS263A, LYS263B, LYS265A, LYS265B, LYS78A, LYS78B, LYS80A, LYS80B, LYS83A, LYS83B, PHE114A, PHE120A, PHE120B, PHE122A, PHE122B, PHE131A, PHE131B, PHE203A, PHE203B, PHE235A, PHE235B, PHE267A, PHE267B, PRO125A, PRO125B, PRO163A, PRO163B, PRO220A, PRO220B, PRO246A, PRO246B, PRO258A, PRO258B, PRO260A, PRO260B, PRO86A, SER224A, SER224B, SER77A, SER77B, SER82A, SER82B, THR121A, THR121B, THR126A, THR126B, THR162A, THR162B, THR215A, THR215B, THR228A, THR228B, THR238A, THR238B, THR255A, THR255B, TRP159A, TRP159B, TRP249A, TRP249B, TYR110A, TYR110B, TYR188A, TYR188B, TYR191A, TYR191B, TYR237A, TYR237B, TYR266A, TYR266B, VAL123A, VAL123B, VAL190A, VAL190B, VAL221A, VAL221B, VAL225A, VAL225B, VAL232A, VAL232B, VAL244A, VAL244B
• A-C: ALA158C, ALA261A, ASN161C, ASP259A, GLN153C, GLU97C, GLY96C, LEU157C, LEU264A, LYS263A, PHE154C, PHE98C, PRO258A, PRO260A, VAL93C
• B-C: ALA158B, ALA158C, ASN161B, ASN161C, ASP119B, ASP119C, ASP151B, ASP151C, ASP179B, ASP179C, ASP194B, ASP194C, GLN153B, GLN153C, GLN166B, GLN166C, GLN183B, GLN183C, GLU193B, GLU193C, GLY196B, GLY196C, 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, SER152B, SER152C, SER178B, SER178C, SER195B, SER195C, THR121B, THR121C, THR155B, THR155C, THR162B, THR162C, THR181B, THR181C, THR198B, THR198C, TRP159B, TRP159C, TYR191B, TYR191C, VAL150B, VAL150C
• B-D: ALA158B, ALA261D, ASN161B, ASP259D, GLN153B, GLU97B, GLY96B, LEU157B, LEU264D, LYS263D, PHE154B, PHE98B, PRO258D, PRO260D, VAL93B
• C-D: ALA130C, ALA130D, ALA234C, ALA234D, ALA245C, ALA245D, ALA247C, ALA247D, ALA261C, ALA261D, ALA79C, ALA79D, ARG134C, ARG134D, ARG164C, ARG164D, ARG165C, ARG165D, ARG200C, ARG200D, ARG212C, ARG212D, ARG223C, ARG223D, ARG230C, ARG230D, ASN217C, ASN217D, ASP119C, ASP119D, ASP187C, ASP187D, ASP194C, ASP194D, ASP206C, ASP206D, ASP218C, ASP218D, ASP226C, ASP226D, ASP239C, ASP239D, ASP259C, ASP259D, ASP268C, ASP268D, CYS124C, CYS124D, GLN166C, GLN166D, GLN213C, GLN213D, GLN233C, GLN233D, GLN236C, GLN236D, GLU127C, GLU127D, GLU193C, GLU193D, GLU227C, GLU227D, GLU243C, GLU243D, GLU254C, GLU254D, GLY167C, GLY167D, GLY168C, GLY168D, GLY189C, GLY189D, GLY201C, GLY201D, GLY222C, GLY222D, GLY242C, GLY242D, GLY248C, GLY248D, GLY262C, GLY262D, HIS75C, HIS75D, ILE128C, ILE128D, ILE129C, ILE129D, ILE204C, ILE204D, ILE210C, ILE210D, ILE214C, ILE214D, ILE256C, ILE256D, ILE257C, ILE257D, ILE81C, ILE81D, LEU169C, LEU169D, LEU192C, LEU192D, LEU199C, LEU199D, LEU202C, LEU202D, LEU211C, LEU211D, LEU216C, LEU216D, LEU219C, LEU219D, LEU231C, LEU231D, LEU264C, LEU264D, LEU74C, LEU74D, LEU76C, LEU76D, LYS186C, LYS186D, LYS250C, LYS250D, LYS263C, LYS263D, LYS265C, LYS265D, LYS78C, LYS78D, LYS80C, LYS80D, LYS83C, LYS83D, PHE114C, PHE120C, PHE120D, PHE122C, PHE122D, PHE131C, PHE131D, PHE203C, PHE203D, PHE235C, PHE235D, PHE267C, PHE267D, PRO125C, PRO125D, PRO163C, PRO163D, PRO220C, PRO220D, PRO246C, PRO246D, PRO258C, PRO258D, PRO260C, PRO260D, PRO86D, SER195C, SER224C, SER224D, SER77C, SER77D, SER82C, SER82D, THR121C, THR121D, THR126C, THR126D, THR162C, THR162D, THR215C, THR215D, THR228C, THR228D, THR238C, THR238D, THR255C, THR255D, TRP159C, TRP159D, TRP249C, TRP249D, TYR110C, TYR110D, TYR188D, TYR191C, TYR191D, TYR237C, TYR237D, TYR266C, TYR266D, VAL123C, VAL123D, VAL190C, VAL190D, VAL221C, VAL221D, VAL225C, VAL225D, VAL232C, VAL232D, VAL244C, VAL244D
• C-E: ALA158E, ALA261C, ASN161E, ASP259C, GLN153E, GLU97E, GLY96E, LEU157E, LEU264C, LYS263C, PHE154E, PHE98E, PRO258C, PRO260C, VAL93E
• D-E: ALA158D, ALA158E, ASN161D, ASN161E, ASP119D, ASP119E, ASP151D, ASP151E, ASP179D, ASP179E, ASP194D, ASP194E, GLN153D, GLN153E, GLN166D, GLN166E, GLN183D, GLN183E, GLU193D, GLU193E, GLY196D, GLY196E, 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, SER149D, SER152D, SER152E, SER178D, SER178E, SER195D, SER195E, THR121D, THR121E, THR155D, THR155E, THR162D, THR162E, THR181D, THR181E, THR198D, THR198E, TRP159D, TRP159E, TYR191D, TYR191E, VAL150D, VAL150E