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 :C11_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 C11_S1
Complex: 8GT_C_13(1WUQ) / Model_26(1WUQ/D) = [5.7] Download1007.6232.00MSMQQSYANILTAVGEDLNRPGLKDTPVRAAKAFSYLTSGYSKTLEEVTNNAVFPSDNHEMVLVKNIEFYSLCEHHLLPFYGRVHVAYLPEGKVLGLSKFARITEMFARRLQIQENLTQQIAEAVAEVTGARGVAVVIDSAHMCMMMRGVGKQESTTRTVSFVGDFKTDKEARREFLSAVPESY
Complex: 8DG_D_14(1WUR) / Model_21(1WUR/E) = [5.3] Download1546.2232.00MSMQQSYANILTAVGEDLNRPGLKDTPVRAAKAFSYLTSGYSKTLEEVTNNAVFPSDNHEMVLVKNIEFYSLCEHHLLPFYGRVHVAYLPEGKVLGLSKFARITEMFARRLQIQENLTQQIAEAVAEVTGARGVAVVIDSAHMCMMMRGVGKQESTTRTVSFVGDFKTDKEARREFLSAVPESY
Consensus
[pKd Mean = 5.50]		-1276
(s=269)		32
(s=0)		MSMQQSYANILTAVGEDLNRPGLKDTPVRAAKAFSYLTSGYSKTLEEVTNNAVFPSDNHEMVLVKNIEFYSLCEHHLLPFYGRVHVAYLPEGKVLGLSKFARITEMFARRLQIQENLTQQIAEAVAEVTGARGVAVVIDSAHMCMMMRGVGKQESTTRTVSFVGDFKTDKEARREFLSAVPESY



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]
ASN50CG29220[O], 6[P], 3[C],
ASN50ND23426[C], 6[P], 22[O],
ASN50OD122216[O], 6[P],
ASN51CG721[P], 1[C], 5[O],
ASN51OD11026[O], 2[P], 2[C],
ASN51ND2625[O], 1[P],
PHE54CD245213[O], 10[N], 20[C], 2[P],
PHE54CZ49210[N], 20[C], 3[P], 16[O],
PHE54CD12626[O], 2[P], 12[C], 6[N],
PHE54CE139213[O], 2[P], 18[C], 6[N],
PHE54CG3328[N], 18[C], 7[O],
PHE54CE249210[N], 20[C], 2[P], 17[O],
ASP57OD21224[C], 6[N], 2[O],
ASP57CG624[N], 2[C],
VAL62CG2622[C], 4[N],
VAL62CG1822[C], 6[N],
VAL64CG2422[C], 2[N],
TYR88CE2222[N],
TYR88CE1222[N],
TYR88CZ222[N],
VAL94CG21226[C], 6[N],
VAL94CG1822[C], 6[N],
LEU95CD2222[O],
LEU95CG1623[O], 4[N], 9[C],
LEU95CD1722[O], 4[C], 1[N],
LEU97CD235210[N], 16[C], 9[O],
LEU97CG3729[O], 18[C], 10[N],
LEU97CD135216[C], 10[N], 9[O],
SER98OG5326[P], 16[C], 6[N], 25[O],
LYS99NZ41225[O], 10[C], 6[P],
LYS99CE4322[N], 10[C], 6[P], 25[O],
LYS99CG43223[O], 6[P], 10[C], 4[N],
LYS99CD41225[O], 6[P], 10[C],
PHE100CD2923[O], 2[C], 4[N],
PHE100CZ222[N],
PHE100CE2622[C], 4[N],
ARG102NE3026[P], 3[C], 21[O],
ARG102CD2325[P], 2[C], 16[O],
ARG102CG1222[P], 10[O],
ARG102CZ23218[O], 1[C], 4[P],
Total = 40



Download csv file of statistical distribution of contacts