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 :C1_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 C1_S1
Complex: ANP_A_5(4E01) / Model_8(4E01/A) = [8.0] Download1221.8823.90MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI
Complex: SAP_A_9(1GJV) / Model_13(1GJV/A) = [7.0] Download1042.5825.63MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI
Complex: ADP_A_2(4H7Q) / Model_9(4H7Q/A) = [6.6] Download930.8923.00MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI
Consensus
[pKd Mean = 7.20]
-1065
(s=119)
24
(s=1)
MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI



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]
TYR271CE1131[O],
TYR271CZ231[O], 1[S],
TYR271CE2131[O],
GLU275OE21431[S], 2[P], 1[N], 10[O],
GLU275CG1935[P], 1[S], 13[O],
GLU275OE13331[S], 8[P], 1[N], 23[O],
GLU275CD2938[P], 1[S], 19[O], 1[N],
LEU276CD22036[N], 5[C], 6[O], 3[P],
LEU276CG633[N], 3[O],
LYS278CE18313[O], 1[N], 3[P], 1[S],
LYS278CG937[O], 2[P],
LYS278CD1238[O], 3[P], 1[S],
LYS278NZ1931[N], 13[O], 1[S], 4[P],
ASN279OD189334[O], 30[C], 16[N], 8[P], 1[S],
ASN279ND287330[C], 16[N], 33[O], 8[P],
ASN279CG8838[P], 30[C], 16[N], 34[O],
ARG282CG28310[O], 11[C], 4[N], 3[P],
ARG282NE76330[C], 12[N], 27[O], 7[P],
ARG282CZ64323[O], 10[N], 27[C], 4[P],
ARG282CD4134[P], 6[N], 15[C], 16[O],
THR284OG1933[C], 6[N],
SER287OG533[N], 2[C],
ILE313CG2333[N],
ASP315OD224312[N], 12[C],
ASP315OD130315[N], 15[C],
ASP315CG24312[C], 12[N],
ILE320CD15439[O], 30[C], 15[N],
ILE320CG15439[O], 30[C], 15[N],
ILE320CG25136[O], 30[C], 15[N],
ASP324OD23136[N], 16[C], 9[O],
ASP324CG2439[O], 12[C], 3[N],
ASP324OD11338[C], 5[O],
LEU325CD1231[C], 1[O],
VAL328CG25033[P], 14[O], 24[C], 9[N],
VAL328CG16933[P], 12[N], 30[C], 24[O],
MET329CE333[O],
MET329SD1935[C], 11[O], 3[P],
MET329CG433[O], 1[C],
TYR331CD2333[O],
PHE333CE12339[O], 14[C],
PHE333CZ30315[O], 15[C],
PHE333CG39321[O], 15[C], 3[P],
PHE333CD119310[C], 9[O],
PHE333CE25035[P], 21[O], 20[C], 4[N],
PHE333CD24836[P], 3[N], 18[C], 21[O],
THR334CG249312[C], 1[N], 27[O], 1[S], 8[P],
THR334OG159334[O], 1[N], 15[C], 8[P], 1[S],
THR335CG24431[P], 6[N], 22[C], 15[O],
THR335OG16334[P], 27[C], 10[N], 22[O],
PHE366CG1331[N], 8[O], 1[S], 3[P],
PHE366CE2533[O], 1[P], 1[S],
PHE366CD11331[N], 8[O], 1[S], 3[P],
PHE366CZ531[S], 1[P], 3[O],
PHE366CD2634[O], 1[S], 1[P],
PHE366CE1731[S], 1[P], 5[O],
PHE368CE2231[O], 1[S],
PHE368CD217310[O], 1[N], 5[P], 1[S],
PHE368CD11133[P], 1[S], 7[O],
PHE368CG2035[P], 1[S], 13[O], 1[N],
PHE368CE1332[O], 1[S],
PHE368CZ231[O], 1[S],
LEU370CD25539[N], 25[C], 18[O], 3[P],
LEU370CG7337[P], 12[N], 27[C], 27[O],
LEU370CD180329[O], 30[C], 15[N], 6[P],
PRO371CD36320[O], 6[C], 1[N], 8[P], 1[S],
PRO371CG22315[O], 3[C], 3[P], 1[S],
THR372OG1731[S], 6[O],
SER373OG831[P], 7[O],
LEU386CD13736[O], 20[C], 11[N],
LEU386CG2239[N], 11[C], 2[O],
LEU386CD22532[O], 10[N], 13[C],
SER388OG1539[C], 6[N],
THR394CG232315[N], 17[C],
THR394OG133315[N], 18[C],
VAL396CG11036[N], 4[C],
VAL396CG227312[N], 15[C],
Total = 76



Download csv file of statistical distribution of contacts