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: GDP_A_3(3CB2) / Model_41(3CB2/A) = [9.0] Download816.6717.09MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPSGNYVGDSDLQLERISVYYNEASSHKYVPRAILVDLEPGTMDSVRSGAFGHLFRPDNFIFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKECENCDCLQGFQLTHSLGGGTGSGMGTLLISKVREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSIHQLVENTDETYCIDNEALYDICFRTLKLATPTYGDLNHLVSATMSGVTTSLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTARGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVATVFRGRMSMKEVDEQMLAIQSKNSSYFVEWIPNNVKVAVCDIPPRGLKMSSTFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEMYEDDEEESEAQGPKENTREESDIFFERENTES
Complex: GTP_A_7(5ND4) / Model_47(5ND4/A) = [6.3] Download843.2621.90MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPSGNYVGDSDLQLERISVYYNEASSHKYVPRAILVDLEPGTMDSVRSGAFGHLFRPDNFIFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKECENCDCLQGFQLTHSLGGGTGSGMGTLLISKVREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSIHQLVENTDETYCIDNEALYDICFRTLKLATPTYGDLNHLVSATMSGVTTSLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTARGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVATVFRGRMSMKEVDEQMLAIQSKNSSYFVEWIPNNVKVAVCDIPPRGLKMSSTFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEMYEDDEEESEAQGPKENTREESDIFFERENTES
Consensus
[pKd Mean = 7.65]		-829
(s=13)		19
(s=2)		MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPSGNYVGDSDLQLERISVYYNEASSHKYVPRAILVDLEPGTMDSVRSGAFGHLFRPDNFIFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKECENCDCLQGFQLTHSLGGGTGSGMGTLLISKVREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSIHQLVENTDETYCIDNEALYDICFRTLKLATPTYGDLNHLVSATMSGVTTSLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTARGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVATVFRGRMSMKEVDEQMLAIQSKNSSYFVEWIPNNVKVAVCDIPPRGLKMSSTFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEMYEDDEEESEAQGPKENTREESDIFFERENTES



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]
GLN11CD5025[P], 17[C], 6[N], 22[O],
GLN11OE14625[P], 21[O], 4[N], 16[C],
GLN11CG4726[N], 15[C], 21[O], 5[P],
GLN11NE241219[O], 5[N], 12[C], 5[P],
CYS12SG53219[O], 10[N], 20[C], 4[P],
ASN14ND2721[P], 6[O],
ASN14CG121[O],
GLN15OE12127[N], 9[C], 5[O],
GLN15CD2521[P], 10[C], 6[O], 8[N],
GLN15NE24029[N], 13[O], 15[C], 3[P],
GLN15CG22210[C], 7[N], 5[O],
ILE16CD11626[N], 8[C], 2[O],
ILE16CG11727[N], 2[O], 8[C],
ILE16CG22129[N], 2[O], 10[C],
LYS19CE121[O],
LYS19CG322[O], 1[N],
ASP67CG15212[O], 3[P],
ASP67OD11825[P], 13[O],
ASP67OD219214[O], 5[P],
LEU68CD1826[O], 2[P],
LEU68CG621[P], 5[O],
LEU68CD2121[O],
GLU69CG1022[P], 8[O],
GLU69OE118213[O], 5[P],
GLU69OE2421[P], 3[O],
GLU69CD1028[O], 2[P],
THR72OG11021[N], 8[O], 1[P],
THR72CG2423[O], 1[P],
ASN99ND229218[O], 6[C], 5[P],
ASN99OD13229[C], 18[O], 5[P],
ASN99CG28218[O], 5[C], 5[P],
ASN100OD1121[O],
LYS103CG121[O],
LYS103CE121[O],
LYS103CD121[O],
HIS137CG121[O],
HIS137ND1121[O],
SER138OG53220[C], 9[N], 20[O], 4[P],
THR143CG215211[O], 4[P],
THR143OG12025[P], 15[O],
SER145OG1524[P], 1[C], 10[O],
VAL169CG23125[O], 10[N], 16[C],
VAL169CG140210[N], 9[O], 20[C], 1[P],
VAL170CG1121[O],
PRO171CG1227[C], 5[O],
PRO171CD1225[O], 7[C],
SER172OG1122[N], 4[C], 5[O],
VAL175CG1121[O],
SER176OG724[C], 3[O],
ASP177OD11821[N], 7[O], 9[C], 1[P],
ASP177CG1721[P], 7[O], 2[N], 7[C],
ASP177OD22027[O], 3[N], 8[C], 2[P],
THR178CG21421[P], 7[O], 6[C],
THR178OG12924[P], 16[O], 9[C],
VAL180CG2121[O],
GLU181CD1621[P], 7[O], 8[C],
GLU181CG1528[C], 6[O], 1[P],
GLU181OE21921[N], 10[O], 7[C], 1[P],
GLU181OE11629[C], 7[O],
ASN184OD1121[O],
ASN184ND21321[P], 2[C], 10[O],
ASN184CG121[O],
ILE202CG1121[N],
ILE202CG2521[C], 4[N],
ILE202CD1121[N],
ASN204ND23828[O], 10[N], 20[C],
ASN204CG37210[N], 19[C], 8[O],
ASN204OD137219[C], 10[N], 8[O],
LEU207CG624[N], 2[C],
LEU207CD11026[N], 4[C],
LEU207CD2322[N], 1[C],
TYR208CE1422[N], 1[O], 1[C],
TYR208CZ924[N], 4[C], 1[O],
TYR208CD2221[O], 1[N],
TYR208CE2722[N], 4[C], 1[O],
TYR222CG35218[C], 10[N], 7[O],
TYR222CD24021[P], 10[N], 20[C], 9[O],
TYR222CE24622[P], 10[N], 20[C], 14[O],
TYR222CD137210[N], 18[C], 9[O],
TYR222CZ46210[N], 14[O], 20[C], 2[P],
TYR222CE141210[N], 11[O], 20[C],
LEU225CG1521[O], 6[C], 8[N],
LEU225CD2824[C], 4[N],
LEU225CD122211[C], 8[N], 3[O],
ASN226ND22222[O], 10[C], 10[N],
ASN226CG2222[O], 10[C], 10[N],
ASN226OD12422[O], 12[C], 10[N],
LEU228CD2121[N],
VAL229CG1724[N], 2[C], 1[O],
VAL229CG21126[N], 1[O], 4[C],
Total = 90



Download csv file of statistical distribution of contacts