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 :C7_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 C7_S1
Complex: ADP_G_9(1GLB) / Model_13(1GLB/G) = [4.0] Download1034.9914.56MQDDTGIKIPVLKVDGGAANNEYLMQFQTDILNVPIQRAENLETTALGAAFLAGLAVGYWKDTDEIREFYEAGKLFEVQMEEERREKLYNGWKKAVKATQAFE
Complex: ATS_Y_4(1GLJ) / Model_42(1GLJ/Y) = [3.7] Download551.4010.30MQDDTGIKIPVLKVDGGAANNEYLMQFQTDILNVPIQRAENLETTALGAAFLAGLAVGYWKDTDEIREFYEAGKLFEVQMEEERREKLYNGWKKAVKATQAFE
Complex: ATF_Y_5(1BWF) / Model_44(1BWF/Y) = [3.6] Download576.3214.56MQDDTGIKIPVLKVDGGAANNEYLMQFQTDILNVPIQRAENLETTALGAAFLAGLAVGYWKDTDEIREFYEAGKLFEVQMEEERREKLYNGWKKAVKATQAFE
Consensus
[pKd Mean = 3.77]		-720
(s=222)		13
(s=2)		MQDDTGIKIPVLKVDGGAANNEYLMQFQTDILNVPIQRAENLETTALGAAFLAGLAVGYWKDTDEIREFYEAGKLFEVQMEEERREKLYNGWKKAVKATQAFE



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]
ASP15CG232[O],
ASP15OD2737[O],
ASN20CG3231[O], 16[C], 15[N],
ASN20ND24135[O], 21[C], 15[N],
ASN20OD123313[C], 9[N], 1[O],
ASN21OD127313[N], 14[C],
ASN21CG28313[C], 15[N],
ASN21ND224311[N], 13[C],
LEU24CG1839[C], 9[N],
LEU24CD125312[N], 13[C],
LEU24CD2733[C], 4[N],
GLU43CG333[O],
GLU43CD232[O],
GLU43OE2333[O],
THR45OG11139[O], 2[P],
THR45CG21031[P], 9[O],
Total = 16



Download csv file of statistical distribution of contacts