Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ANP_A_3(2E8A) / Model_14(2E8A/A) = [10.3] Download855.892.31MQAPRELAVGIDLGTTYSCVGVFQQGRVEILANDQGNRTTPSYVAFTDTERLVGDAAKSQAALNPHNTVFDAKRLIGRKFADTTVQSDMKHWPFRVVSEGGKPKVRVCYRGEDKTFYPEEISSMVLSKMKETAEAYLGQPVKHAVITVPAYFNDSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDRRGAGERNVLIFDLGGGTFDVSVLSIDAGVFEVKATAGDTHLGGEDFDNRLVNHFMEEFRRKHGKDLSGNKRALRRLRTACERAKRTLSSSTQATLEIDSLFEGVDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDVVLVGGSTRIPKVQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAVLMGDKCEKVQDLLLLDVAPLSLGLETAGGVMTTLIQRNATIPTKQTQTFTTYSDNQPGVFIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILSVTATDRSTGKANKITITNDKGRLSKEEVERMVHEAEQYKAEDEAQRDRVAAKNSLEAHVFHVKGSLQEESLRDKIPEEDRRKMQDKCREVLAWLEHNQLAEKEEYEHQKRELEQICRPIFSRLYGGPGVPGGSSCGTQARQGDPSTGPIIEEVD
Complex: ATP_A_3(5TKY) / Model_38(5TKY/A) = [8.8] Download993.443.20MQAPRELAVGIDLGTTYSCVGVFQQGRVEILANDQGNRTTPSYVAFTDTERLVGDAAKSQAALNPHNTVFDAKRLIGRKFADTTVQSDMKHWPFRVVSEGGKPKVRVCYRGEDKTFYPEEISSMVLSKMKETAEAYLGQPVKHAVITVPAYFNDSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDRRGAGERNVLIFDLGGGTFDVSVLSIDAGVFEVKATAGDTHLGGEDFDNRLVNHFMEEFRRKHGKDLSGNKRALRRLRTACERAKRTLSSSTQATLEIDSLFEGVDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDVVLVGGSTRIPKVQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAVLMGDKCEKVQDLLLLDVAPLSLGLETAGGVMTTLIQRNATIPTKQTQTFTTYSDNQPGVFIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILSVTATDRSTGKANKITITNDKGRLSKEEVERMVHEAEQYKAEDEAQRDRVAAKNSLEAHVFHVKGSLQEESLRDKIPEEDRRKMQDKCREVLAWLEHNQLAEKEEYEHQKRELEQICRPIFSRLYGGPGVPGGSSCGTQARQGDPSTGPIIEEVD
Complex: ADP_A_2(4J8F) / Model_50(4J8F/A) = [7.4] Download817.652.15MQAPRELAVGIDLGTTYSCVGVFQQGRVEILANDQGNRTTPSYVAFTDTERLVGDAAKSQAALNPHNTVFDAKRLIGRKFADTTVQSDMKHWPFRVVSEGGKPKVRVCYRGEDKTFYPEEISSMVLSKMKETAEAYLGQPVKHAVITVPAYFNDSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDRRGAGERNVLIFDLGGGTFDVSVLSIDAGVFEVKATAGDTHLGGEDFDNRLVNHFMEEFRRKHGKDLSGNKRALRRLRTACERAKRTLSSSTQATLEIDSLFEGVDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDVVLVGGSTRIPKVQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAVLMGDKCEKVQDLLLLDVAPLSLGLETAGGVMTTLIQRNATIPTKQTQTFTTYSDNQPGVFIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILSVTATDRSTGKANKITITNDKGRLSKEEVERMVHEAEQYKAEDEAQRDRVAAKNSLEAHVFHVKGSLQEESLRDKIPEEDRRKMQDKCREVLAWLEHNQLAEKEEYEHQKRELEQICRPIFSRLYGGPGVPGGSSCGTQARQGDPSTGPIIEEVD
Consensus
[pKd Mean = 8.83]		-888
(s=75)		2
(s=0)		MQAPRELAVGIDLGTTYSCVGVFQQGRVEILANDQGNRTTPSYVAFTDTERLVGDAAKSQAALNPHNTVFDAKRLIGRKFADTTVQSDMKHWPFRVVSEGGKPKVRVCYRGEDKTFYPEEISSMVLSKMKETAEAYLGQPVKHAVITVPAYFNDSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDRRGAGERNVLIFDLGGGTFDVSVLSIDAGVFEVKATAGDTHLGGEDFDNRLVNHFMEEFRRKHGKDLSGNKRALRRLRTACERAKRTLSSSTQATLEIDSLFEGVDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDVVLVGGSTRIPKVQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAVLMGDKCEKVQDLLLLDVAPLSLGLETAGGVMTTLIQRNATIPTKQTQTFTTYSDNQPGVFIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILSVTATDRSTGKANKITITNDKGRLSKEEVERMVHEAEQYKAEDEAQRDRVAAKNSLEAHVFHVKGSLQEESLRDKIPEEDRRKMQDKCREVLAWLEHNQLAEKEEYEHQKRELEQICRPIFSRLYGGPGVPGGSSCGTQARQGDPSTGPIIEEVD



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
ASP12CG29320[O], 8[P], 1[N],
ASP12OD13038[P], 1[N], 21[O],
ASP12OD23138[P], 1[N], 22[O],
LEU13CG131[O],
THR15OG12536[P], 1[N], 18[O],
THR15CG223317[O], 5[P], 1[N],
THR16CG255333[O], 1[N], 8[P], 13[C],
THR16OG16238[P], 3[N], 35[O], 16[C],
TYR17CE148317[C], 22[O], 4[N], 5[P],
TYR17CG57317[C], 29[O], 4[N], 7[P],
TYR17CD152326[O], 3[N], 7[P], 16[C],
TYR17CZ52319[C], 6[P], 6[N], 21[O],
TYR17CD25936[N], 6[P], 29[O], 18[C],
TYR17CE25936[N], 6[P], 27[O], 20[C],
SER18OG1239[O], 3[P],
CYS19SG232[O],
THR39CG22132[N], 4[P], 11[O], 4[C],
THR39OG12634[P], 3[N], 11[O], 8[C],
SER42OG1834[P], 1[N], 13[O],
LYS58CE231[C], 1[O],
LYS58NZ15310[C], 5[O],
ASP71OD2232[O],
ASP71OD1433[O], 1[P],
ASP71CG131[O],
LYS73NZ2235[P], 1[N], 16[O],
LYS73CE19313[O], 1[N], 5[P],
LYS73CD2031[N], 5[P], 14[O],
LYS73CG1033[P], 7[O],
ARG74CZ531[P], 4[O],
ARG74CD131[O],
ARG74NE333[O],
ARG74CG232[O],
THR147OG1333[O],
PRO149CG731[P], 6[O],
PRO149CD531[P], 4[O],
PHE152CE1232[O],
PHE152CZ131[O],
GLU177OE124317[O], 6[P], 1[N],
GLU177OE218312[O], 5[P], 1[N],
GLU177CD1931[N], 5[P], 13[O],
GLU177CG831[P], 7[O],
ASP201CG26317[O], 8[P], 1[N],
ASP201OD224315[O], 8[P], 1[N],
ASP201OD13531[N], 8[P], 25[O], 1[C],
LEU202CD1333[O],
LEU202CG1137[O], 4[C],
THR206OG12736[P], 1[N], 20[O],
THR206CG219313[O], 1[N], 5[P],
ASP208CG534[O], 1[P],
ASP208OD2936[O], 2[P], 1[N],
ASP208OD1131[O],
GLU233OE11739[C], 8[O],
GLU233OE21631[P], 9[O], 6[C],
GLU233CG2039[O], 11[C],
GLU233CD20310[C], 1[P], 9[O],
PHE235CD23136[N], 9[O], 16[C],
PHE235CZ131[O],
PHE235CG831[C], 3[N], 4[O],
PHE235CE226315[C], 7[O], 4[N],
ASP236CG21311[C], 6[O], 4[N],
ASP236OD130317[C], 7[O], 6[N],
ASP236OD22534[N], 8[O], 13[C],
GLU270OE149311[N], 11[O], 27[C],
GLU270OE247311[O], 10[N], 26[C],
GLU270CD48328[C], 11[N], 9[O],
GLU270CG4038[O], 8[N], 24[C],
LYS273CG4738[O], 15[N], 24[C],
LYS273CE5439[O], 15[N], 30[C],
LYS273CD51327[C], 9[O], 15[N],
LYS273NZ55313[N], 12[O], 30[C],
ARG274CD5239[O], 15[N], 28[C],
ARG274NE55330[C], 10[O], 15[N],
ARG274CZ59314[O], 15[N], 30[C],
ARG274CG5139[O], 15[N], 27[C],
SER277OG33318[C], 15[N],
SER278OG1036[N], 4[C],
PHE304CE1633[C], 3[N],
PHE304CE2936[N], 3[C],
PHE304CD2333[C],
PHE304CZ933[C], 6[N],
VAL339CG1931[N], 3[P], 5[O],
VAL339CG2332[O], 1[P],
SER342OG67321[O], 3[P], 13[N], 30[C],
THR343OG1333[O],
ARG344CD38319[C], 15[N], 4[O],
ARG344NE34317[C], 15[N], 2[O],
ARG344CG36318[C], 3[O], 15[N],
ARG344CZ37318[C], 3[O], 1[P], 15[N],
ILE345CG140320[C], 5[O], 15[N],
ILE345CG21436[N], 8[C],
ILE345CD141320[C], 7[O], 14[N],
PRO346CD1337[N], 6[C],
PRO346CG431[C], 3[N],
ASN366ND2131[N],
PRO367CG633[C], 2[N], 1[O],
ASP368OD145318[C], 15[O], 8[N], 4[P],
ASP368CG51320[C], 4[P], 10[N], 17[O],
ASP368OD252316[O], 3[P], 12[N], 21[C],
GLU369CG232[O],
VAL371CG2737[O],
VAL371CG1434[O],
Total = 101



Download csv file of statistical distribution of contacts