2PN8

crystal structure of human peroxiredoxin 4 (thioredoxin peroxidase)

• Total interactions analyzed: 45
• Total true interactions: 20
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 204
  • Norm. En. per Res.: -5.1441
• Hub Node: A(4)

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	-220.1483	-75.4963	-723.53	-1019.1746	204	38	27	26689	5	35	40
A-G	0.0	0.0	-11.5074	-11.5074	15	0	0	636	0	2	1
A-H	0.0	22.8883	-174.633	-151.7447	71	0	8	7262	0	20	22
A-I	0.0	0.0	-11.5573	-11.5573	15	0	0	618	0	2	1
B-H	0.0	0.0	-10.3995	-10.3995	15	0	0	602	0	2	1
B-I	0.0	22.8445	-175.329	-152.4845	70	0	8	7285	0	20	22
B-J	0.0	0.0	-11.5882	-11.5882	15	0	0	625	0	2	1
C-D	-203.7078	-64.8532	-711.983	-980.544	205	32	25	26308	3	36	40
C-E	0.0	0.0	-11.2654	-11.2654	15	0	0	615	0	2	1
C-G	0.0	22.4712	-170.854	-148.3828	71	3	9	7193	0	20	22
C-H	0.0	0.0	-11.0882	-11.0882	15	0	0	642	0	3	1
D-E	0.0	22.6516	-175.257	-152.6054	70	0	8	7285	0	20	22
D-F	0.0	0.0	-12.2575	-12.2575	15	0	0	647	0	3	1
D-G	0.0	0.0	-11.3682	-11.3682	15	0	0	621	0	2	1
E-F	-229.3593	-74.4164	-745.615	-1049.3907	204	35	28	27326	5	36	40
E-J	0.0	0.0	-10.7191	-10.7191	15	0	0	606	0	2	1
F-I	0.0	0.0	-11.555	-11.555	15	0	0	654	0	3	1
F-J	0.0	22.6515	-171.016	-148.3645	71	0	9	7239	0	20	21
G-H	-229.187	-82.683	-721.954	-1033.824	201	31	27	26322	4	36	37
I-J	-199.3947	-78.2967	-723.89	-1001.5815	202	32	27	26738	5	37	38

Interface residues

• A-B: ALA130A, ALA130B, ALA234A, ALA234B, ALA247A, ALA247B, ALA261A, ALA261B, ARG134A, ARG134B, ARG164A, ARG164B, ARG165A, ARG165B, ARG200A, ARG200B, ARG212A, ARG212B, ARG223A, ARG223B, ARG230A, ARG230B, ASN217A, ASN217B, ASP119A, ASP119B, ASP194A, ASP194B, ASP206A, ASP206B, ASP218A, ASP218B, ASP226A, ASP226B, ASP239A, ASP239B, ASP259A, ASP259B, ASP268A, ASP268B, CYS124A, CYS124B, CYS245A, CYS245B, GLN166A, GLN166B, GLN213A, GLN213B, GLN233A, GLN233B, GLN236A, GLN236B, GLN81A, GLN81B, GLU127A, GLU127B, GLU193A, GLU193B, GLU227A, GLU227B, GLU243A, GLU243B, GLU254A, GLU254B, GLY167A, GLY167B, GLY168A, GLY168B, GLY189A, GLY189B, GLY196A, GLY196B, GLY201A, GLY201B, GLY222A, GLY222B, GLY242A, GLY242B, GLY248A, GLY248B, GLY262A, GLY262B, HIS197A, HIS197B, ILE128A, ILE128B, ILE129A, ILE129B, ILE204A, ILE204B, ILE210A, ILE210B, ILE214A, ILE214B, ILE256A, ILE256B, ILE257A, ILE257B, LEU169A, LEU169B, LEU192A, LEU192B, LEU199A, LEU199B, LEU202A, LEU202B, LEU211A, LEU211B, LEU216A, LEU216B, LEU219A, LEU219B, LEU231A, LEU231B, LEU264A, LEU264B, LYS186A, LYS186B, LYS250A, LYS250B, LYS263A, LYS263B, LYS265A, LYS265B, LYS269A, LYS269B, MET83A, MET83B, PHE120A, PHE120B, PHE122A, PHE122B, PHE131A, PHE131B, PHE203A, PHE203B, PHE235A, PHE235B, PHE267A, PHE267B, PHE80A, PHE80B, PRO117A, PRO117B, PRO125A, PRO125B, PRO163A, PRO163B, PRO220A, PRO220B, PRO246A, PRO246B, PRO258A, PRO258B, PRO260A, PRO260B, SER195A, SER195B, SER224A, SER224B, SER82A, SER82B, THR121A, THR121B, THR126A, THR126B, THR162A, THR162B, THR198A, THR198B, THR215A, THR215B, THR228A, THR228B, THR238A, THR238B, THR255A, THR255B, TRP159A, TRP159B, TRP249A, TRP249B, TYR110A, TYR110B, TYR191A, TYR191B, TYR237A, TYR237B, TYR266A, TYR266B, TYR79A, TYR79B, VAL123A, VAL123B, VAL190A, VAL190B, VAL221A, VAL221B, VAL225A, VAL225B, VAL232A, VAL232B, VAL244A, VAL244B
• A-G: ALA158A, ALA261G, ASN161A, ASP259G, GLN153A, GLU97A, GLY96A, LEU157A, LEU264G, LYS263G, PHE154A, PHE98A, PRO258G, PRO260G, VAL93A
• A-H: ALA158A, ALA158H, ASN161A, ASN161H, ASP119A, ASP119H, ASP151A, ASP151H, ASP179A, ASP179H, ASP194A, ASP194H, GLN153A, GLN153H, GLN166A, GLN166H, GLN183A, GLN183H, GLU193A, GLU193H, GLY196A, GLY196H, HIS156A, HIS156H, HIS182A, HIS182H, HIS197A, HIS197H, LEU118A, LEU118H, LEU157A, LEU157H, LEU180A, LEU180H, LEU192A, LEU192H, LYS186A, LYS186H, PHE120A, PHE120H, PHE122A, PHE122H, PHE154A, PHE154H, PHE98A, PHE98H, PRO117A, PRO117H, SER149H, SER152A, SER152H, SER178A, SER178H, SER195A, SER195H, THR121A, THR121H, THR155A, THR155H, THR162A, THR162H, THR181A, THR181H, THR198A, THR198H, TRP159A, TRP159H, TYR191A, TYR191H, VAL150A, VAL150H
• A-I: ALA158I, ALA261A, ASN161I, ASP259A, GLN153I, GLU97I, GLY96I, LEU157I, LEU264A, LYS263A, PHE154I, PHE98I, PRO258A, PRO260A, VAL93I
• B-H: ALA158H, ALA261B, ASN161H, ASP259B, GLN153H, GLU97H, GLY96H, LEU157H, LEU264B, LYS263B, PHE154H, PHE98H, PRO258B, PRO260B, VAL93H
• B-I: ALA158B, ALA158I, ASN161B, ASN161I, ASP119B, ASP119I, ASP151B, ASP151I, ASP179B, ASP179I, ASP194B, ASP194I, GLN153B, GLN153I, GLN166B, GLN166I, GLN183B, GLN183I, GLU193B, GLU193I, GLY196B, GLY196I, HIS156B, HIS156I, HIS182B, HIS182I, HIS197B, HIS197I, LEU118B, LEU118I, LEU157B, LEU157I, LEU180B, LEU180I, LEU192B, LEU192I, LYS186B, LYS186I, PHE120B, PHE120I, PHE122B, PHE122I, PHE154B, PHE154I, PHE98B, PHE98I, PRO117B, PRO117I, SER152B, SER152I, SER178B, SER178I, SER195B, SER195I, THR121B, THR121I, THR155B, THR155I, THR162B, THR162I, THR181B, THR181I, THR198B, THR198I, TRP159B, TRP159I, TYR191B, TYR191I, VAL150B, VAL150I
• B-J: ALA158B, ALA261J, ASN161B, ASP259J, GLN153B, GLU97B, GLY96B, LEU157B, LEU264J, LYS263J, PHE154B, PHE98B, PRO258J, PRO260J, VAL93B
• C-D: ALA130C, ALA130D, ALA234C, ALA234D, ALA247C, ALA247D, ALA261C, ALA261D, ARG134C, ARG134D, ARG164C, ARG164D, ARG165C, ARG165D, ARG200C, ARG200D, ARG212C, ARG212D, ARG223C, ARG223D, ARG230C, ARG230D, ASN217C, ASN217D, ASP119C, ASP119D, ASP194C, ASP194D, ASP206C, ASP206D, ASP218C, ASP218D, ASP226C, ASP226D, ASP239C, ASP239D, ASP259C, ASP259D, ASP268C, ASP268D, CYS124C, CYS124D, CYS245C, CYS245D, GLN166C, GLN166D, GLN213C, GLN213D, GLN233C, GLN233D, GLN236C, GLN236D, GLN81C, GLN81D, GLU127C, GLU127D, GLU193C, GLU193D, GLU227C, GLU227D, GLU243C, GLU243D, GLU254C, GLU254D, GLY167C, GLY167D, GLY168C, GLY168D, GLY189C, GLY189D, GLY196C, GLY196D, GLY201C, GLY201D, GLY222C, GLY222D, GLY242C, GLY242D, GLY248C, GLY248D, GLY262C, GLY262D, HIS197C, HIS197D, ILE128C, ILE128D, ILE129C, ILE129D, ILE204C, ILE204D, ILE210C, ILE210D, ILE214C, ILE214D, ILE256C, ILE256D, ILE257C, ILE257D, LEU118C, LEU169C, LEU169D, LEU192C, LEU192D, LEU199C, LEU199D, LEU202C, LEU202D, LEU211C, LEU211D, LEU216C, LEU216D, LEU219C, LEU219D, LEU231C, LEU231D, LEU264C, LEU264D, LYS186C, LYS186D, LYS250C, LYS250D, LYS263C, LYS263D, LYS265C, LYS265D, LYS269C, LYS269D, MET83C, MET83D, PHE120C, PHE120D, PHE122C, PHE122D, PHE131C, PHE131D, PHE203C, PHE203D, PHE235C, PHE235D, PHE267C, PHE267D, PHE80C, PHE80D, PRO117C, PRO117D, PRO125C, PRO125D, PRO163C, PRO163D, PRO220C, PRO220D, PRO246C, PRO246D, PRO258C, PRO258D, PRO260C, PRO260D, SER195C, SER195D, SER224C, SER224D, SER82C, SER82D, THR121C, THR121D, THR126C, THR126D, THR162C, THR162D, THR198C, THR198D, THR215C, THR215D, THR228C, THR228D, THR238C, THR238D, THR255C, THR255D, TRP159C, TRP159D, TRP249C, TRP249D, TYR110C, TYR110D, TYR191C, TYR191D, TYR237C, TYR237D, TYR266C, TYR266D, TYR79C, TYR79D, 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
• C-G: ALA158C, ALA158G, ASN161C, ASN161G, ASP119C, ASP119G, ASP151C, ASP151G, ASP179C, ASP179G, ASP194C, ASP194G, GLN153C, GLN153G, GLN166C, GLN166G, GLN183C, GLN183G, GLU193C, GLU193G, GLY196C, GLY196G, HIS156C, HIS156G, HIS182C, HIS182G, HIS197C, HIS197G, LEU118C, LEU118G, LEU157C, LEU157G, LEU180C, LEU180G, LEU192C, LEU192G, LYS186C, LYS186G, PHE120C, PHE120G, PHE122C, PHE122G, PHE154C, PHE154G, PHE98C, PHE98G, PRO117C, PRO117G, SER149C, SER152C, SER152G, SER178C, SER178G, SER195C, SER195G, THR121C, THR121G, THR155C, THR155G, THR162C, THR162G, THR181C, THR181G, THR198C, THR198G, TRP159C, TRP159G, TYR191C, TYR191G, VAL150C, VAL150G
• C-H: ALA158C, ALA261H, ASN161C, ASP259H, GLN153C, GLU97C, GLY96C, LEU157C, LEU264H, LYS263H, PHE154C, PHE98C, PRO258H, PRO260H, VAL93C
• 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, SER152D, SER152E, SER178D, SER178E, SER195D, SER195E, THR121D, THR121E, THR155D, THR155E, THR162D, THR162E, THR181D, THR181E, THR198D, THR198E, TRP159D, TRP159E, TYR191D, TYR191E, VAL150D, VAL150E
• D-F: ALA158D, ALA261F, ASN161D, ASP259F, GLN153D, GLU97D, GLY96D, LEU157D, LEU264F, LYS263F, PHE154D, PHE98D, PRO258F, PRO260F, VAL93D
• D-G: ALA158G, ALA261D, ASN161G, ASP259D, GLN153G, GLU97G, GLY96G, LEU157G, LEU264D, LYS263D, PHE154G, PHE98G, PRO258D, PRO260D, VAL93G
• E-F: ALA130E, ALA130F, ALA234E, ALA234F, ALA247E, ALA247F, ALA261E, ALA261F, ARG134E, ARG134F, ARG164E, ARG164F, ARG165E, ARG165F, ARG200E, ARG200F, ARG212E, ARG212F, ARG223E, ARG223F, ARG230E, ARG230F, ASN217E, ASN217F, ASP119E, ASP119F, ASP194E, ASP194F, ASP206E, ASP206F, ASP218E, ASP218F, ASP226E, ASP226F, ASP239E, ASP239F, ASP259E, ASP259F, ASP268E, ASP268F, CYS124E, CYS124F, CYS245E, CYS245F, GLN166E, GLN166F, GLN213E, GLN213F, GLN233E, GLN233F, GLN236E, GLN236F, GLN81E, GLN81F, GLU127E, GLU127F, GLU193E, GLU193F, GLU227E, GLU227F, GLU243E, GLU243F, GLU254E, GLU254F, GLY167E, GLY167F, GLY168E, GLY168F, GLY189E, GLY189F, GLY196E, GLY196F, GLY201E, GLY201F, GLY222E, GLY222F, GLY242E, GLY242F, GLY248E, GLY248F, GLY262E, GLY262F, HIS197E, HIS197F, ILE128E, ILE128F, ILE129E, ILE129F, ILE204E, ILE204F, ILE210E, ILE210F, ILE214E, ILE214F, ILE256E, ILE256F, ILE257E, ILE257F, LEU169E, LEU169F, LEU192E, LEU192F, LEU199E, LEU199F, LEU202E, LEU202F, LEU211E, LEU211F, LEU216E, LEU216F, LEU219E, LEU219F, LEU231E, LEU231F, LEU264E, LEU264F, LYS186E, LYS186F, LYS250E, LYS250F, LYS263E, LYS263F, LYS265E, LYS265F, LYS269E, LYS269F, MET83E, MET83F, PHE120E, PHE120F, PHE122E, PHE122F, PHE131E, PHE131F, PHE203E, PHE203F, PHE235E, PHE235F, PHE267E, PHE267F, PHE80E, PHE80F, PRO125E, PRO125F, PRO163E, PRO163F, PRO220E, PRO220F, PRO246E, PRO246F, PRO258E, PRO258F, PRO260E, PRO260F, SER185F, SER195E, SER195F, SER224E, SER224F, SER82E, SER82F, THR121E, THR121F, THR126E, THR126F, THR162E, THR162F, THR198E, THR198F, THR215E, THR215F, THR228E, THR228F, THR238E, THR238F, THR255E, THR255F, TRP159E, TRP159F, TRP249E, TRP249F, TYR110E, TYR110F, TYR188F, TYR191E, TYR191F, TYR237E, TYR237F, TYR266E, TYR266F, TYR79E, TYR79F, VAL123E, VAL123F, VAL190E, VAL190F, VAL221E, VAL221F, VAL225E, VAL225F, VAL232E, VAL232F, VAL244E, VAL244F
• E-J: ALA158J, ALA261E, ASN161J, ASP259E, GLN153J, GLU97J, GLY96J, LEU157J, LEU264E, LYS263E, PHE154J, PHE98J, PRO258E, PRO260E, VAL93J
• F-I: ALA158F, ALA261I, ASN161F, ASP259I, GLN153F, GLU97F, GLY96F, LEU157F, LEU264I, LYS263I, PHE154F, PHE98F, PRO258I, PRO260I, VAL93F
• F-J: ALA158F, ALA158J, ASN161F, ASN161J, ASP119F, ASP119J, ASP151F, ASP151J, ASP179F, ASP179J, ASP194F, ASP194J, GLN153F, GLN153J, GLN166F, GLN166J, GLN183F, GLN183J, GLU193F, GLU193J, GLY196F, GLY196J, HIS156F, HIS156J, HIS182F, HIS182J, HIS197F, HIS197J, LEU118F, LEU118J, LEU157F, LEU157J, LEU180F, LEU180J, LEU192F, LEU192J, LYS186F, LYS186J, PHE120F, PHE120J, PHE122F, PHE122J, PHE154F, PHE154J, PHE98F, PHE98J, PRO117F, PRO117J, PRO163F, SER152F, SER152J, SER178F, SER178J, SER195F, SER195J, THR121F, THR121J, THR155F, THR155J, THR162F, THR162J, THR181F, THR181J, THR198F, THR198J, TRP159F, TRP159J, TYR191F, TYR191J, VAL150F, VAL150J
• G-H: ALA130G, ALA130H, ALA234G, ALA234H, ALA247G, ALA247H, ALA261G, ALA261H, ARG134G, ARG134H, ARG164G, ARG164H, ARG165G, ARG165H, ARG200G, ARG200H, ARG212G, ARG212H, ARG223G, ARG223H, ARG230G, ARG230H, ASN217G, ASN217H, ASP119G, ASP119H, ASP194G, ASP194H, ASP206G, ASP206H, ASP218G, ASP218H, ASP226G, ASP226H, ASP239G, ASP239H, ASP259G, ASP259H, ASP268G, ASP268H, CYS124G, CYS124H, CYS245G, CYS245H, GLN166G, GLN166H, GLN213G, GLN213H, GLN233G, GLN233H, GLN236G, GLN236H, GLN81G, GLN81H, GLU127G, GLU127H, GLU193G, GLU193H, GLU227G, GLU227H, GLU243G, GLU243H, GLU254G, GLU254H, GLY167G, GLY167H, GLY168G, GLY168H, GLY189G, GLY189H, GLY196G, GLY196H, GLY201G, GLY201H, GLY222G, GLY222H, GLY242G, GLY242H, GLY248G, GLY248H, GLY262G, GLY262H, HIS197G, HIS197H, ILE128G, ILE128H, ILE129G, ILE129H, ILE204G, ILE204H, ILE210G, ILE210H, ILE214G, ILE214H, ILE256G, ILE256H, ILE257G, ILE257H, LEU169G, LEU169H, LEU192G, LEU192H, LEU199G, LEU199H, LEU202G, LEU202H, LEU211G, LEU211H, LEU216G, LEU216H, LEU219G, LEU219H, LEU231G, LEU231H, LEU264G, LEU264H, LYS186G, LYS186H, LYS250G, LYS250H, LYS263G, LYS263H, LYS265G, LYS265H, LYS269G, MET83G, MET83H, PHE120G, PHE120H, PHE122G, PHE122H, PHE131G, PHE131H, PHE203G, PHE203H, PHE235G, PHE235H, PHE267G, PHE267H, PHE80G, PHE80H, PRO125G, PRO125H, PRO163G, PRO163H, PRO220G, PRO220H, PRO246G, PRO246H, PRO258G, PRO258H, PRO260G, PRO260H, SER195G, SER195H, SER224G, SER224H, SER82G, SER82H, THR121G, THR121H, THR126G, THR126H, THR162G, THR162H, THR198G, THR198H, THR215G, THR215H, THR228G, THR228H, THR238G, THR238H, THR255G, THR255H, TRP159G, TRP159H, TRP249G, TRP249H, TYR110G, TYR110H, TYR191G, TYR191H, TYR237G, TYR237H, TYR266G, TYR266H, TYR79G, TYR79H, VAL123G, VAL123H, VAL190G, VAL190H, VAL221G, VAL221H, VAL225G, VAL225H, VAL232G, VAL232H, VAL244G, VAL244H
• I-J: ALA130I, ALA130J, ALA234I, ALA234J, ALA247I, ALA247J, ALA261I, ALA261J, ARG134I, ARG134J, ARG164I, ARG164J, ARG165I, ARG165J, ARG200I, ARG200J, ARG212I, ARG212J, ARG223I, ARG223J, ARG230I, ARG230J, ASN217I, ASN217J, ASP119I, ASP119J, ASP194I, ASP194J, ASP206I, ASP206J, ASP218I, ASP218J, ASP226I, ASP226J, ASP239I, ASP239J, ASP259I, ASP259J, ASP268I, ASP268J, CYS124I, CYS124J, CYS245I, CYS245J, GLN166I, GLN166J, GLN213I, GLN213J, GLN233I, GLN233J, GLN236I, GLN236J, GLN81I, GLN81J, GLU127I, GLU127J, GLU193I, GLU193J, GLU227I, GLU227J, GLU243I, GLU243J, GLU254I, GLU254J, GLY167I, GLY167J, GLY168I, GLY168J, GLY189I, GLY189J, GLY196I, GLY196J, GLY201I, GLY201J, GLY222I, GLY222J, GLY242I, GLY248I, GLY248J, GLY262I, GLY262J, HIS197I, HIS197J, HIS241J, ILE128I, ILE128J, ILE129I, ILE129J, ILE204I, ILE204J, ILE210I, ILE210J, ILE214I, ILE214J, ILE256I, ILE256J, ILE257I, ILE257J, LEU169I, LEU169J, LEU192I, LEU192J, LEU199I, LEU199J, LEU202I, LEU202J, LEU211I, LEU211J, LEU216I, LEU216J, LEU219I, LEU219J, LEU231I, LEU231J, LEU264I, LEU264J, LYS186I, LYS186J, LYS250I, LYS250J, LYS263I, LYS263J, LYS265I, LYS265J, LYS269J, MET83I, MET83J, PHE120I, PHE120J, PHE122I, PHE122J, PHE131I, PHE131J, PHE203I, PHE203J, PHE235I, PHE235J, PHE267I, PHE267J, PHE80I, PHE80J, PRO117J, PRO125I, PRO125J, PRO163I, PRO163J, PRO220I, PRO220J, PRO246I, PRO246J, PRO258I, PRO258J, PRO260I, PRO260J, SER195I, SER195J, SER224I, SER224J, SER82I, SER82J, THR121I, THR121J, THR126I, THR126J, THR162I, THR162J, THR198I, THR198J, THR215I, THR215J, THR228I, THR228J, THR238I, THR238J, THR255I, THR255J, TRP159I, TRP159J, TRP249I, TRP249J, TYR110I, TYR110J, TYR191I, TYR191J, TYR237I, TYR237J, TYR266I, TYR266J, TYR79I, TYR79J, VAL123I, VAL123J, VAL190I, VAL190J, VAL221I, VAL221J, VAL225I, VAL225J, VAL232I, VAL232J, VAL244I, VAL244J