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: CDC_C_11(1JYL) / Model_22(1JYL/C) = [6.8] Download1235.3414.97MKAIILAAGLGTRLRPMTENTPKALVQVNQKPLIEYQIEFLKEKGINDIIIIVGYLKEQFDYLKEKYGVRLVFNDKYADYNNFYSLYLVKEELANSYVIDADNYLFKNMFRNDLTRSTYFSVYREDCTNEWFLVYGDDYKVQDIIVDSKAGRILSGVSFWDAPTAEKIVSFIDKAYASGEFVDLYWDNMVKDNIKELDVYVEELEGNSIYEIDSVQDYRKLEEILKNEN
Consensus
[pKd Mean = 6.80]		-1235
(s=0)		14
(s=0)		MKAIILAAGLGTRLRPMTENTPKALVQVNQKPLIEYQIEFLKEKGINDIIIIVGYLKEQFDYLKEKYGVRLVFNDKYADYNNFYSLYLVKEELANSYVIDADNYLFKNMFRNDLTRSTYFSVYREDCTNEWFLVYGDDYKVQDIIVDSKAGRILSGVSFWDAPTAEKIVSFIDKAYASGEFVDLYWDNMVKDNIKELDVYVEELEGNSIYEIDSVQDYRKLEEILKNEN



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]
ILE5CG2412[C], 2[O],
LEU6CD11715[O], 9[C], 2[N], 1[P],
LEU6CD21512[N], 4[O], 9[C],
LEU6CG1619[C], 5[O], 2[N],
LEU10CD1311[N], 2[C],
LEU10CG411[N], 3[C],
ARG13CZ614[O], 2[P],
ARG13NE715[O], 2[P],
LYS23CE1515[C], 8[O], 2[P],
LYS23NZ17110[O], 5[C], 2[P],
LYS23CD1011[P], 5[O], 4[C],
LYS23CG613[O], 3[C],
LEU33CD1111[O],
ILE34CD1111[O],
GLN37NE2111[O],
GLN37OE1111[O],
ILE52CD1111[O],
ILE52CG1311[O], 1[C], 1[N],
ILE52CG2813[C], 2[O], 3[N],
PHE60CE2111[O],
PHE60CZ111[O],
ASN74ND2813[N], 4[C], 1[O],
ASN74CG713[N], 3[C], 1[O],
ASN74OD1512[N], 1[O], 2[C],
TYR77CE2211[N], 1[C],
TYR77CD1312[N], 1[C],
TYR77CD2711[O], 4[C], 2[N],
TYR77CG612[N], 3[C], 1[O],
TYR80CD2111[N],
TYR80CG111[N],
ASN81OD12713[N], 2[P], 9[O], 13[C],
ASN81CG1817[C], 6[O], 2[P], 3[N],
ASN81ND21914[N], 2[P], 6[O], 7[C],
ASN82ND23014[N], 2[P], 11[O], 13[C],
ASN82OD12512[P], 4[N], 13[C], 6[O],
ASN82CG2814[N], 2[P], 9[O], 13[C],
TYR84CG111[N],
TYR84CD2311[C], 2[N],
SER85OG1413[N], 8[C], 3[O],
ILE99CG2111[O],
ASP100CG2512[N], 2[P], 10[O], 11[C],
ASP100OD12512[P], 2[N], 11[C], 10[O],
ASP100OD22312[N], 2[P], 9[O], 10[C],
ASP102OD12011[N], 2[P], 10[O], 7[C],
ASP102CG19110[O], 6[C], 1[N], 2[P],
ASP102OD22111[N], 2[P], 10[O], 8[C],
ASN103CG512[O], 3[C],
ASN103OD1915[C], 4[O],
ASN103ND2512[C], 3[O],
TYR119CE1212[C],
TYR119CZ111[C],
ASN129OD1111[O],
ASN129ND2211[C], 1[O],
GLU130CD712[O], 4[C], 1[N],
GLU130CG313[C],
GLU130OE1311[O], 2[C],
GLU130OE2911[N], 1[P], 3[O], 4[C],
TRP131CG811[N], 2[O], 5[C],
TRP131NE1911[P], 1[N], 5[C], 2[O],
TRP131CZ2811[N], 5[C], 2[O],
TRP131CE3711[N], 5[C], 1[O],
TRP131CD2812[O], 5[C], 1[N],
TRP131CD1911[P], 1[N], 5[C], 2[O],
TRP131CZ3615[C], 1[N],
TRP131CE2811[N], 2[O], 5[C],
ILE144CG2311[N], 2[C],
VAL146CG2411[N], 3[C],
VAL146CG1212[C],
ILE153CG1111[C],
ILE153CG2111[C],
ILE153CD1111[C],
LEU154CD2615[C], 1[N],
LEU154CG611[N], 5[C],
LEU154CD1413[C], 1[N],
TYR185CD22518[O], 13[C], 2[N], 2[P],
TYR185CG2019[C], 8[O], 2[P], 1[N],
TYR185CD11416[O], 5[C], 1[N], 2[P],
TYR185CE11511[N], 2[P], 7[O], 5[C],
TYR185CE22512[N], 2[P], 8[O], 13[C],
TYR185CZ2018[O], 9[C], 1[N], 2[P],
TRP186CE2111[C],
TRP186CD2111[C],
TRP186NE1711[N], 4[C], 2[O],
TRP186CZ2111[C],
TRP186CD11114[O], 5[C], 2[N],
TRP186CG111[C],
ASP187OD1811[N], 5[C], 2[O],
ASP187OD21411[P], 1[N], 7[C], 5[O],
ASP187CG811[N], 5[C], 2[O],
ASN188ND2111[C],
ASN188OD1312[C], 1[N],
ASN188CG212[C],
LYS191CD313[C],
GLU211CD1511[N], 2[P], 6[O], 6[C],
GLU211OE21818[O], 7[C], 1[N], 2[P],
GLU211OE11411[N], 2[P], 6[O], 5[C],
GLU211CG915[O], 2[C], 2[P],
ASP213CG1217[O], 3[C], 2[P],
ASP213OD21317[O], 4[C], 2[P],
ASP213OD11612[P], 8[O], 6[C],
Total = 100



Download csv file of statistical distribution of contacts