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 :C3_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 C3_S1
Complex: EGR_B_5(4J0K) / Model_31(4J0K/B) = [5.0] Download964.9716.82MKSAFKRFVQQSPSTVKDNVFAVVAYCPINNLANADLGYEWQYNASRNDSNTGNLNGVSYSAGPQLTASKEIAEKFPMYLQTLNLKLPNGQQLTAENMPDQIKEQIKSEIERQLAKGTPVPNFGENFVSSKATLVNDWLKHDGSKVTEIDYQKFLNYVAANQALKTVVAFDAVGVNGNTAISGETNLFGDSQNEYNNFTQWSWDHNSKTADGSGQDDTGLSWENYLNSNSSTANLLKDQLKMVNPIAYLNTTTDTAPYWYIRHGVLDRDTSFAMQMILYYAVTNDPKVKDTNFKLPYLTGHAGNYDVQEAFKWINEKLNTTQ
Consensus
[pKd Mean = 5.00]		-964
(s=0)		16
(s=0)		MKSAFKRFVQQSPSTVKDNVFAVVAYCPINNLANADLGYEWQYNASRNDSNTGNLNGVSYSAGPQLTASKEIAEKFPMYLQTLNLKLPNGQQLTAENMPDQIKEQIKSEIERQLAKGTPVPNFGENFVSSKATLVNDWLKHDGSKVTEIDYQKFLNYVAANQALKTVVAFDAVGVNGNTAISGETNLFGDSQNEYNNFTQWSWDHNSKTADGSGQDDTGLSWENYLNSNSSTANLLKDQLKMVNPIAYLNTTTDTAPYWYIRHGVLDRDTSFAMQMILYYAVTNDPKVKDTNFKLPYLTGHAGNYDVQEAFKWINEKLNTTQ



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]
CYS27SG614[C], 2[O],
ILE29CG11419[C], 5[O],
ILE29CG21217[C], 5[O],
ILE29CD11419[C], 5[O],
LEU32CD2612[O], 4[C],
LEU32CD1311[C], 2[O],
LEU32CG311[C], 2[O],
TYR39CE2111[O],
THR52OG1212[C],
LEU164CG211[O], 1[C],
LEU164CD2512[O], 3[C],
LEU164CD1111[O],
LYS165CG513[C], 2[O],
LYS165NZ1319[C], 4[O],
LYS165CE1118[C], 3[O],
LYS165CD713[O], 4[C],
PHE170CD1512[C], 3[O],
PHE170CD2913[O], 6[C],
PHE170CG613[O], 3[C],
PHE170CE1613[O], 3[C],
PHE170CZ813[O], 5[C],
PHE170CE2916[C], 3[O],
SER182OG412[O], 2[C],
GLU184CD913[O], 6[C],
GLU184OE1913[O], 6[C],
GLU184OE21218[C], 4[O],
GLU184CG913[O], 6[C],
LEU187CG111[O],
LEU187CD2111[O],
LEU187CD1111[O],
ASP267OD1412[O], 2[C],
ASP267OD2211[C], 1[O],
ASP267CG111[O],
ASP269CG1415[O], 9[C],
ASP269OD11219[C], 3[O],
ASP269OD21419[C], 5[O],
THR270CG2211[O], 1[C],
THR270OG1412[C], 2[O],
HIS301CG1118[C], 3[O],
HIS301CE11415[O], 9[C],
HIS301NE21419[C], 5[O],
HIS301CD21319[C], 4[O],
HIS301ND11219[C], 3[O],
Total = 43



Download csv file of statistical distribution of contacts