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 :C8_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 C8_S1
Complex: SM8_B_8(2Y3P) / Model_68(2Y3P/B) = [3.3] Download625.9838.15MENRQEVQELTLEEVMGDRFGRYSKYIIQERALPDIRDGLKPVQRRILFAMNKDGNTYDKGFRKSAKSVGNIMGNYHPHGDSSIYEAMVRMSQDWKLREVLIEMHGNNGSMDGDPPAAMRYTEARLSKLSGEMLADIEKETVDLVWNFDDTEKEPTVLPARYPNLLVNGSTGISAGYATEIPTHNLAEVIDGTIYMIDHPQASLEKLMEYIPGPDFPTGGILQGKDEIKKAYETGRGKVILRSKTKIEAMKGNKQQIVITEIPYEVNKATLVKKMDEIRLNKKIDGIAEVRDESDRTGLQIVVELKKDANAQGILNYLFKNTELQINYNFNMVAIDHMTPHQVGLKDILRSYIEHRKQVITKRSQFDLAKAQKRQHIVEGLMKALSILDEVIATIRESKDKKDAKKNLVDVFQFTEEQAEAIVTLQLYRLTNTDITELQKESESLIAQITELNKILSNDKELFSVMKKELREVKKNYSSARLTTIEDEIEEIKIDTQVLVAQEDVIVSVTREGYVKRTSLRSYSASKPEEIGMREGDYLLYSGELSTLDHVLLITNKANVIYRPVHELPDLKWKDAGEHISQTISNLSVDESILAVFPYQKIQAEKTFVFISKNGLIKQTRMTEFEPWRTYKSRPLSCMKLKAEEDELIAVYLKEDQPGLDVFLVTHQGMGLRYPLTDVPVVGAKAAGVKSMNLKDGDRIINGLLVLAEGDTPIVIVTQRGAVKRMLAQEISQTSRAKRGVTVMRELKKNPHRIIYMSEGRSKEITLMNQKGQQLTIDPTDFPIGDRTSNGSFAMDEKKGGEVIEVIDAPEIFIES
Consensus
[pKd Mean = 3.30]		-625
(s=0)		38
(s=0)		MENRQEVQELTLEEVMGDRFGRYSKYIIQERALPDIRDGLKPVQRRILFAMNKDGNTYDKGFRKSAKSVGNIMGNYHPHGDSSIYEAMVRMSQDWKLREVLIEMHGNNGSMDGDPPAAMRYTEARLSKLSGEMLADIEKETVDLVWNFDDTEKEPTVLPARYPNLLVNGSTGISAGYATEIPTHNLAEVIDGTIYMIDHPQASLEKLMEYIPGPDFPTGGILQGKDEIKKAYETGRGKVILRSKTKIEAMKGNKQQIVITEIPYEVNKATLVKKMDEIRLNKKIDGIAEVRDESDRTGLQIVVELKKDANAQGILNYLFKNTELQINYNFNMVAIDHMTPHQVGLKDILRSYIEHRKQVITKRSQFDLAKAQKRQHIVEGLMKALSILDEVIATIRESKDKKDAKKNLVDVFQFTEEQAEAIVTLQLYRLTNTDITELQKESESLIAQITELNKILSNDKELFSVMKKELREVKKNYSSARLTTIEDEIEEIKIDTQVLVAQEDVIVSVTREGYVKRTSLRSYSASKPEEIGMREGDYLLYSGELSTLDHVLLITNKANVIYRPVHELPDLKWKDAGEHISQTISNLSVDESILAVFPYQKIQAEKTFVFISKNGLIKQTRMTEFEPWRTYKSRPLSCMKLKAEEDELIAVYLKEDQPGLDVFLVTHQGMGLRYPLTDVPVVGAKAAGVKSMNLKDGDRIINGLLVLAEGDTPIVIVTQRGAVKRMLAQEISQTSRAKRGVTVMRELKKNPHRIIYMSEGRSKEITLMNQKGQQLTIDPTDFPIGDRTSNGSFAMDEKKGGEVIEVIDAPEIFIES



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]
PRO34CG111[C],
ASP38OD1111[O],
LEU40CD1514[C], 1[O],
LEU40CD2812[O], 6[C],
LEU40CG615[C], 1[O],
LYS41CE16111[C], 4[O], 1[N],
LYS41NZ1611[N], 4[O], 11[C],
LYS41CD1614[O], 1[N], 11[C],
LYS41CG1314[O], 9[C],
VAL43CG1715[C], 2[O],
GLN44CD1611[N], 5[O], 10[C],
GLN44CG1611[N], 5[O], 10[C],
GLN44OE11419[C], 5[O],
GLN44NE217111[C], 1[N], 5[O],
ILE47CD1311[O], 2[C],
LEU48CD1413[C], 1[O],
LEU48CG413[C], 1[O],
LEU48CD2411[O], 3[C],
SER82OG311[C], 2[O],
SER83OG511[O], 4[C],
GLU86OE114110[C], 1[N], 3[O],
GLU86OE21118[C], 3[O],
GLU86CD1019[C], 1[O],
GLU86CG611[O], 5[C],
ARG90CD18113[C], 4[O], 1[N],
ARG90CZ17112[C], 1[N], 4[O],
ARG90NE19114[C], 4[O], 1[N],
ARG90CG1611[N], 4[O], 11[C],
MET91SD1113[O], 8[C],
MET91CE812[O], 6[C],
MET91CG1319[C], 1[N], 3[O],
GLN93OE1211[N], 1[O],
TRP95CZ3111[N],
LYS96CD16111[C], 4[O], 1[N],
LYS96CG16111[C], 1[N], 4[O],
LYS96NZ1714[O], 1[N], 12[C],
LYS96CE18113[C], 4[O], 1[N],
LEU97CD11419[C], 4[O], 1[N],
LEU97CG1414[O], 1[N], 9[C],
LEU97CD21615[O], 1[N], 10[C],
LEU101CD2411[O], 3[C],
LEU101CD1812[O], 6[C],
LEU101CG716[C], 1[O],
ILE102CG1111[C],
MET133SD311[O], 2[C],
MET133CG111[O],
MET133CE514[C], 1[O],
TYR162CD2111[O],
TYR162CE2111[O],
ASN164ND2812[O], 6[C],
ASN164CG511[O], 4[C],
ASN164OD1514[C], 1[O],
LEU165CD1211[O], 1[C],
LEU165CG111[C],
ASN168ND2812[O], 6[C],
ASN168CG812[O], 6[C],
ASN168OD1614[C], 2[O],
SER170OG916[C], 3[O],
THR171CG217112[C], 4[O], 1[N],
THR171OG11011[N], 3[O], 6[C],
THR183CG2412[C], 2[O],
TYR264CE1111[O],
TYR264CE2111[O],
TYR264CZ312[O], 1[C],
GLU265CD111[O],
GLU265OE2211[O], 1[C],
GLU265CG111[O],
Total = 67



Download csv file of statistical distribution of contacts