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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_S_6(3R2D) / Model_85(3R2D/J) = [3.6] Download--MANKKIRIRLKAYEHRTLDTAAAKIVESATRTGAQVAGPIPLPTERSLYTIIRATHKYKDSREQFEMRTHKRLIDIVNPTQKTVDALMKLDLPSGVNVEIKL
Consensus
[pKd Mean = 3.60]		-0
(s=0)		0
(s=0)		MANKKIRIRLKAYEHRTLDTAAAKIVESATRTGAQVAGPIPLPTERSLYTIIRATHKYKDSREQFEMRTHKRLIDIVNPTQKTVDALMKLDLPSGVNVEIKL



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]
LEU42CG111[O],
LEU42CD1311[N], 2[O],
PRO43CG3912[P], 6[N], 12[O], 19[C],
PRO43CD2518[O], 5[N], 12[C],
GLU45CG1315[O], 1[N], 7[C],
GLU45OE11215[O], 2[N], 5[C],
GLU45CD1415[O], 2[N], 7[C],
GLU45OE218110[C], 2[N], 6[O],
ARG46NE111[O],
Total = 9



Download csv file of statistical distribution of contacts