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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GTP_D_7(5EIB) / Model_5(5EIB/D) = [8.9] Download854.3920.66MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYSIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATADEQGEFEEEEGEDEA
Complex: GDP_B_7(3J8Y) / Model_4(3J8Y/B) = [7.1] Download1109.9619.00MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYSIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATADEQGEFEEEEGEDEA
Consensus
[pKd Mean = 8.00]		-982
(s=127)		19
(s=1)		MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEAAGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYSIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATADEQGEFEEEEGEDEA



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]
GLN11OE137212[C], 5[P], 15[O], 5[N],
GLN11NE25124[P], 20[C], 19[O], 8[N],
GLN11CG4325[P], 14[C], 18[O], 6[N],
GLN11CD4828[N], 18[O], 5[P], 17[C],
CYS12SG5022[P], 20[C], 18[O], 10[N],
ASN14CG121[O],
ASN14ND2625[O], 1[P],
GLN15OE1924[C], 2[O], 3[N],
GLN15CG2126[N], 5[O], 10[C],
GLN15NE2621[N], 2[O], 3[C],
GLN15CD1125[C], 4[N], 2[O],
ILE16CG11628[C], 2[O], 6[N],
ILE16CG22323[O], 10[N], 10[C],
ILE16CD11626[N], 2[O], 8[C],
LYS19CG222[O],
ASP67OD120215[O], 5[P],
ASP67CG20215[O], 5[P],
ASP67OD220215[O], 5[P],
LEU68CD2121[O],
LEU68CG524[O], 1[P],
LEU68CD1726[O], 1[P],
GLU69CG726[O], 1[P],
GLU69OE1822[P], 6[O],
GLU69CD722[P], 5[O],
GLU69OE2625[O], 1[P],
THR72OG11022[P], 8[O],
THR72CG2323[O],
SER95OG121[O],
ASN99ND22325[P], 5[C], 13[O],
ASN99OD138211[C], 5[P], 22[O],
ASN99CG3227[C], 5[P], 20[O],
ASN100CG121[O],
LYS103CD222[O],
HIS137CG222[O],
HIS137ND1121[O],
HIS137CD2121[O],
SER138OG48217[C], 5[P], 22[O], 4[N],
THR143CG220215[O], 5[P],
THR143OG12125[P], 16[O],
SER145OG825[O], 1[C], 2[P],
VAL169CG129214[C], 6[O], 9[N],
VAL169CG24522[P], 20[C], 13[O], 10[N],
PRO171CG1529[C], 6[O],
PRO171CD1529[C], 6[O],
VAL175CG21226[C], 3[O], 3[N],
VAL175CG11725[N], 3[O], 9[C],
SER176OG2422[N], 8[O], 1[P], 13[C],
ASP177CG121[O],
ASP177OD1121[O],
THR178CG2622[C], 4[O],
THR178OG11929[O], 1[P], 9[C],
GLU181OE23424[N], 15[O], 13[C], 2[P],
GLU181CD24211[C], 1[P], 10[O], 2[N],
GLU181CG2121[P], 10[C], 10[O],
GLU181OE120210[C], 8[O], 2[N],
ASN184ND21221[P], 3[C], 8[O],
ASN184OD1121[O],
ASN184CG321[C], 2[O],
ILE202CG2725[N], 2[C],
ILE202CG1121[N],
ASN204ND240210[N], 10[O], 20[C],
ASN204CG39210[N], 9[O], 20[C],
ASN204OD137210[N], 8[O], 19[C],
LEU207CG822[C], 6[N],
LEU207CD2422[C], 2[N],
LEU207CD11226[N], 6[C],
TYR222CD233216[C], 7[O], 10[N],
TYR222CE240219[C], 1[P], 10[N], 10[O],
TYR222CD133210[N], 7[O], 16[C],
TYR222CZ42220[C], 1[P], 11[O], 10[N],
TYR222CG31210[N], 6[O], 15[C],
TYR222CE139210[N], 9[O], 20[C],
LEU225CD12423[O], 10[N], 11[C],
LEU225CD2822[C], 6[N],
LEU225CG1828[C], 3[O], 7[N],
ASN226CG2122[O], 10[N], 9[C],
ASN226ND22222[O], 10[N], 10[C],
ASN226OD123211[C], 10[N], 2[O],
VAL229CG21325[C], 2[O], 6[N],
VAL229CG1722[C], 5[N],
Total = 80



Download csv file of statistical distribution of contacts