4A63

crystal structure of the p73-aspp2 complex at 2.6a resolution

• Total interactions analyzed: 66
• Total true interactions: 17
• Strongest Interaction:
  • Chains: I-J
  • Int. Res.: 74
  • Norm. En. per Res.: -4.1411
• 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	-42.3584	-67.8918	-167.244	-277.4942	74	5	1	6114	5	37	16
A-D	-12.8428	0.0	-62.8323	-75.6751	57	3	0	2869	0	13	9
A-E	0.0	0.0	-0.005	-0.005	3	0	0	6	0	0	0
A-K	-43.2744	-23.7274	-161.617	-228.6188	78	10	6	6598	0	17	17
B-C	-22.0371	11.2686	-87.3641	-98.1326	63	6	0	3393	0	15	9
C-D	-54.1047	-77.6684	-174.247	-306.02	75	9	1	6388	6	43	20
C-I	-49.8745	-25.9678	-174.165	-250.0073	77	9	6	6847	0	16	17
E-F	-46.3961	-75.4562	-164.957	-286.8093	73	5	1	5982	5	40	19
E-H	-9.9804	5.7996	-80.743	-84.9237	56	1	0	3101	0	13	9
E-K	-2.1432	0.0	-32.8426	-34.9858	44	1	0	1785	0	9	9
F-G	-13.2293	0.0	-76.6086	-89.8379	56	3	0	3093	0	14	9
F-I	0.0	0.0	-14.0051	-14.0051	13	0	0	690	0	4	4
G-H	-38.5718	-85.0262	-175.207	-298.805	74	9	1	6456	7	40	17
G-I	-31.233	11.4035	-146.58	-166.4095	80	8	1	5103	0	15	11
G-L	0.0	-1.1396	-12.3317	-13.4713	13	0	0	561	0	4	4
I-J	-39.4134	-89.0142	-178.017	-306.4447	74	7	1	6344	7	41	17
I-L	-3.7179	14.8475	-73.3902	-62.2606	53	1	0	2971	0	10	7

Interface residues

• A-B: ALA1020B, ALA296A, ARG1111B, ARG193A, ARG201A, ARG268A, ARG269A, ARG293A, ARG300A, ASN1072B, ASN1112B, ASN196A, ASN204A, ASN259A, ASN267A, ASP1025B, ASP1073B, ASP1074B, ASP1093B, ASP189A, ASP202A, ASP301A, ASP991B, CYS194A, CYS262A, CYS295A, CYS297A, GLN1071B, GLU1069B, GLU1075B, GLU1090B, GLU1092B, GLU1094B, GLU1096B, GLU185A, GLU198A, GLU205A, GLY1107B, GLY200A, GLY264A, GLY265A, GLY992B, HIS186A, HIS197A, ILE1095B, ILE155A, ILE294A, LEU1076B, LEU1113B, LEU199A, LYS183A, MET1021B, MET1026B, MET1078B, MET266A, PHE203A, PRO1070B, PRO1110B, PRO195A, PRO270A, SER1024B, SER260A, SER261A, SER990B, THR1022B, TRP1097B, TRP1098B, TRP1099B, TYR1023B, TYR1068B, TYR1108B, TYR181A, VAL1109B, VAL263A
• A-D: ALA137A, ALA140A, ALA209A, ARG1089D, ASN1003D, ASN220A, ASN221A, ASN255A, ASP1091D, ASP1093D, CYS1033D, CYS1043D, CYS159A, GLN1006D, GLN1042D, GLN1045D, GLN132A, GLN133A, GLN162A, GLN207A, GLN244A, GLU1034D, GLU1035D, GLU1037D, GLU1038D, GLU1052D, GLU1090D, GLU1092D, GLU218A, GLY1039D, GLY1049D, GLY206A, GLY219A, ILE1056D, ILE1095D, ILE161A, ILE252A, LEU253A, LYS1053D, LYS138A, MET1036D, PRO160A, SER1044D, SER135A, SER139A, SER208A, THR1041D, THR158A, THR247A, THR250A, THR251A, TRP142A, TYR1040D, TYR1048D, VAL1005D, VAL217A, VAL245A
• A-E: ASN221E, LEU222E, TYR316A
• A-K: ALA312A, ALA312K, ARG287A, ARG287K, ARG288A, ARG288K, ARG310A, ARG310K, ASN118A, ASN118K, ASN314A, ASN314K, ASP120A, ASP120K, ASP281A, ASP281K, GLN283A, GLN283K, GLN318A, GLN318K, GLU278A, GLU278K, GLU311A, GLU311K, GLU313A, GLU313K, GLY123A, GLY123K, GLY282A, GLY282K, GLY286A, GLY286K, HIS125A, HIS125K, HIS126A, ILE115A, ILE115K, LEU147A, LEU147K, LEU148A, LEU148K, LEU277A, LEU277K, LEU285A, LEU285K, LEU315A, LEU315K, LYS149A, LYS149K, MET279A, MET279K, PHE317A, PHE317K, PRO116A, PRO116K, PRO122A, PRO122K, PRO124A, PRO124K, PRO146A, PRO146K, PRO170A, PRO170K, PRO171A, SER117A, SER117K, THR119A, THR119K, TYR121A, TYR121K, TYR309A, TYR309K, TYR316A, TYR316K, VAL114A, VAL114K, VAL284A, VAL284K
• B-C: ALA137C, ALA140C, ARG1089B, ARG216C, ASN1003B, ASN220C, ASN221C, ASN255C, ASP1091B, ASP1093B, CYS1043B, CYS159C, CYS297C, GLN1006B, GLN1042B, GLN1045B, GLN132C, GLN133C, GLN162C, GLN207C, GLN244C, GLU1034B, GLU1035B, GLU1037B, GLU1038B, GLU1052B, GLU1090B, GLU1092B, GLU218C, GLU241C, GLY1039B, GLY1049B, GLY206C, GLY219C, GLY299C, ILE1056B, ILE1095B, ILE161C, ILE252C, LEU222C, LEU253C, LYS1053B, LYS138C, MET1036B, PRO160C, SER1044B, SER135C, SER139C, SER208C, THR1041B, THR136C, THR141C, THR158C, THR247C, THR250C, THR251C, TRP142C, TYR1040B, TYR1048B, TYR254C, VAL1005B, VAL217C, VAL245C
• C-D: ALA1020D, ALA296C, ARG1111D, ARG193C, ARG201C, ARG268C, ARG269C, ARG293C, ARG300C, ASN1072D, ASN1112D, ASN196C, ASN204C, ASN259C, ASN267C, ASP1025D, ASP1073D, ASP1074D, ASP1093D, ASP189C, ASP202C, ASP301C, ASP989D, ASP991D, CYS194C, CYS262C, CYS295C, CYS297C, GLN1071D, GLU1069D, GLU1075D, GLU1090D, GLU1092D, GLU1094D, GLU1096D, GLU185C, GLU198C, GLY1107D, GLY200C, GLY264C, GLY265C, GLY992D, HIS186C, HIS197C, ILE1095D, ILE155C, ILE294C, LEU1076D, LEU1113D, LEU199C, LYS183C, MET1021D, MET1026D, MET1078D, MET257C, MET266C, PHE203C, PRO1070D, PRO1110D, PRO195C, PRO270C, SER1024D, SER260C, SER261C, SER990D, THR1022D, TRP1097D, TRP1098D, TRP1099D, TYR1023D, TYR1068D, TYR1108D, TYR181C, VAL1109D, VAL263C
• C-I: ALA312C, ALA312I, ARG287C, ARG287I, ARG288C, ARG288I, ARG310C, ARG310I, ASN118C, ASN118I, ASN314C, ASN314I, ASP120C, ASP120I, ASP281C, ASP281I, GLN283C, GLN283I, GLN318C, GLN318I, GLU278C, GLU278I, GLU311C, GLU311I, GLU313C, GLU313I, GLY123C, GLY123I, GLY282C, GLY282I, GLY286C, GLY286I, HIS125C, HIS125I, HIS126I, ILE115C, ILE115I, LEU147C, LEU147I, LEU148C, LEU148I, LEU277C, LEU277I, LEU285C, LEU285I, LEU315C, LEU315I, LYS149C, LYS149I, MET279C, MET279I, PHE317C, PHE317I, PRO116C, PRO116I, PRO122C, PRO122I, PRO124C, PRO124I, PRO146C, PRO146I, PRO170C, PRO170I, SER117C, SER117I, THR119C, THR119I, TYR121C, TYR121I, TYR309C, TYR309I, TYR316C, TYR316I, VAL114C, VAL114I, VAL284C, VAL284I
• E-F: ALA1020F, ALA296E, ARG1111F, ARG193E, ARG201E, ARG268E, ARG269E, ARG293E, ARG300E, ASN1072F, ASN1112F, ASN196E, ASN204E, ASN259E, ASN267E, ASP1025F, ASP1073F, ASP1074F, ASP1093F, ASP189E, ASP202E, ASP301E, ASP989F, ASP991F, CYS194E, CYS262E, CYS295E, CYS297E, GLN1071F, GLU1069F, GLU1075F, GLU1092F, GLU1094F, GLU1096F, GLU185E, GLU198E, GLY1107F, GLY200E, GLY264E, GLY265E, GLY992F, HIS186E, HIS197E, ILE1095F, ILE155E, ILE294E, LEU1076F, LEU1113F, LEU199E, LYS183E, MET1021F, MET1026F, MET1078F, MET266E, PHE203E, PRO1070F, PRO1110F, PRO195E, PRO270E, SER1024F, SER260E, SER261E, SER990F, THR1022F, TRP1097F, TRP1098F, TRP1099F, TYR1023F, TYR1068F, TYR1108F, TYR181E, VAL1109F, VAL263E
• E-H: ALA137E, ALA140E, ARG1089H, ASN1003H, ASN220E, ASN221E, ASN255E, ASP1091H, ASP1093H, CYS1043H, CYS159E, GLN1042H, GLN1045H, GLN132E, GLN162E, GLN207E, GLN244E, GLU1034H, GLU1035H, GLU1037H, GLU1038H, GLU1052H, GLU1090H, GLU1092H, GLU218E, GLY1039H, GLY1049H, GLY206E, GLY219E, ILE1056H, ILE1095H, ILE161E, ILE252E, LEU222E, LEU253E, LYS138E, MET1036H, PHE1046H, PRO160E, SER1044H, SER135E, SER139E, SER208E, THR1041H, THR141E, THR158E, THR247E, THR250E, THR251E, TRP142E, TYR1040H, TYR1048H, TYR254E, VAL1005H, VAL217E, VAL245E
• E-K: ALA174E, ALA174K, ARG176E, ARG280E, ARG280K, ASN221E, ASN221K, ASP227K, ASP228E, ASP228K, ASP281E, ASP281K, GLN224E, GLN224K, GLN283E, GLN283K, GLU278E, GLY172E, GLY172K, GLY282E, GLY282K, LEU222E, LEU222K, MET279E, MET279K, PRO170E, PRO170K, PRO171E, PRO171K, PRO229E, PRO229K, PRO239E, PRO239K, SER223E, SER223K, THR173E, THR231E, TYR225E, TYR225K, VAL226E, VAL230E, VAL230K, VAL237E, VAL238E
• F-G: ALA137G, ALA140G, ARG1089F, ASN1003F, ASN220G, ASN221G, ASN255G, ASP1091F, ASP1093F, CYS1033F, CYS1043F, CYS159G, GLN1042F, GLN1045F, GLN132G, GLN133G, GLN162G, GLN207G, GLN244G, GLU1034F, GLU1035F, GLU1037F, GLU1038F, GLU1052F, GLU1090F, GLU1092F, GLU218G, GLU241G, GLY1039F, GLY1049F, GLY219G, ILE1056F, ILE1095F, ILE161G, ILE252G, LEU253G, LYS1053F, LYS138G, MET1036F, PRO160G, SER1044F, SER135G, SER139G, SER208G, THR1041F, THR141G, THR158G, THR247G, THR250G, THR251G, TRP142G, TYR1040F, TYR1048F, VAL1005F, VAL217G, VAL245G
• F-I: ARG280I, ASN1003F, ASP281I, GLU1034F, GLU1035F, GLU1037F, GLU1038F, GLY172I, MET1036F, MET279I, PRO170I, PRO171I, THR173I
• G-H: ALA1020H, ALA296G, ARG1111H, ARG193G, ARG201G, ARG268G, ARG269G, ARG293G, ARG300G, ASN1072H, ASN1112H, ASN196G, ASN204G, ASN259G, ASN267G, ASP1025H, ASP1073H, ASP1074H, ASP1093H, ASP189G, ASP202G, ASP301G, ASP991H, CYS194G, CYS262G, CYS295G, CYS297G, GLN1071H, GLU1069H, GLU1075H, GLU1090H, GLU1092H, GLU1094H, GLU1096H, GLU185G, GLU198G, GLU205G, GLY1107H, GLY200G, GLY264G, GLY265G, GLY992H, HIS186G, HIS197G, ILE1095H, ILE155G, ILE294G, LEU1076H, LEU1113H, LEU199G, LYS183G, MET1021H, MET1026H, MET266G, PHE1019H, PHE203G, PRO1070H, PRO1110H, PRO195G, PRO270G, SER1024H, SER260G, SER261G, SER990H, THR1022H, TRP1097H, TRP1098H, TRP1099H, TYR1023H, TYR1068H, TYR1108H, TYR181G, VAL1109H, VAL263G
• G-I: ALA174G, ALA174I, ALA209G, ALA209I, ARG280G, ARG280I, ASN220G, ASN220I, ASN221G, ASN221I, ASP227G, ASP227I, ASP228G, ASP228I, ASP281G, ASP281I, GLN207G, GLN207I, GLN224G, GLN224I, GLN234G, GLN234I, GLN283G, GLN283I, GLU205I, GLU241G, GLU241I, GLY172G, GLY172I, GLY206G, GLY206I, GLY219G, GLY219I, GLY232G, GLY232I, GLY282G, GLY282I, HIS213G, HIS213I, LEU222G, LEU222I, LYS192G, LYS192I, MET279G, MET279I, PRO170G, PRO170I, PRO171G, PRO171I, PRO210G, PRO210I, PRO229G, PRO229I, PRO239G, PRO239I, SER208G, SER208I, SER212G, SER212I, SER223G, SER223I, SER235I, THR173G, THR173I, TYR225G, TYR225I, TYR240G, TYR240I, VAL217G, VAL217I, VAL226G, VAL226I, VAL230G, VAL230I, VAL236G, VAL236I, VAL237G, VAL237I, VAL238G, VAL238I
• G-L: ARG280G, ASN1003L, ASP281G, GLU1034L, GLU1035L, GLU1037L, GLU1038L, GLY172G, MET1036L, MET279G, PRO170G, PRO171G, THR173G
• I-J: ALA1020J, ALA296I, ARG1111J, ARG193I, ARG201I, ARG268I, ARG269I, ARG293I, ARG300I, ASN1072J, ASN1112J, ASN196I, ASN204I, ASN259I, ASN267I, ASP1025J, ASP1073J, ASP1074J, ASP1093J, ASP189I, ASP202I, ASP301I, ASP991J, CYS194I, CYS262I, CYS295I, CYS297I, GLN1027J, GLN1071J, GLU1069J, GLU1075J, GLU1090J, GLU1092J, GLU1094J, GLU1096J, GLU185I, GLU198I, GLU205I, GLY1107J, GLY200I, GLY264I, GLY265I, GLY992J, HIS186I, HIS197I, ILE1095J, ILE155I, ILE294I, LEU1076J, LEU1113J, LEU199I, LYS1032J, LYS183I, MET1021J, MET1026J, MET266I, PHE203I, PRO1070J, PRO1110J, PRO195I, PRO270I, SER1024J, SER260I, SER261I, SER990J, THR1022J, TRP1097J, TRP1098J, TRP1099J, TYR1023J, TYR1068J, TYR1108J, VAL1109J, VAL263I
• I-L: ALA137I, ALA140I, ARG216I, ASN1003L, ASN220I, ASN221I, ASN255I, ASP1091L, CYS1033L, CYS1043L, CYS159I, GLN1006L, GLN1042L, GLN1045L, GLN132I, GLN162I, GLN207I, GLN244I, GLU1034L, GLU1035L, GLU1037L, GLU1038L, GLU1052L, GLU1092L, GLU218I, GLU241I, GLY1039L, GLY1049L, GLY206I, GLY219I, ILE1095L, ILE161I, ILE252I, LEU222I, LEU253I, LYS138I, MET1036L, PRO160I, SER1044L, SER135I, SER139I, SER208I, THR1041L, THR158I, THR247I, THR250I, THR251I, TRP142I, TYR1040L, TYR1048L, VAL1005L, VAL217I, VAL245I