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: GMP_A_2(2FQX) / Model_2(2FQX/A) = [7.1] Download577.2414.84MKNKTIILGGFTEMKKAKLFGLGAVALAAGLFLGACGNNGSTDSSGGKSSSDTTTAALITDTGGVDDRSFNQSAWEGLEKWGKDQGLSRGNDGFQYFQSSNESDYIPNIDQALNAGFKTIFGIGYKLKPAIQEQATNNTGTNFVIIDDVIDGLDNVVSATFKDNEASYLAGVAAAYTTETNVVGFIGGVKGEVIDRFDAGFKAGVDAGAKELGKEIKVLNQYAGDFSAPDKGRSIAQGMYAQNADIIFHASGGTGNGVFQEAKSLNESGDKKVWVIGVDRDQSDEGEYTLNGEKKNFTLTSTLKAVGTVVEDLAQKSADGKFPGGEHTVYGLKEDGVGLTEGQLSDEAKKAVDEAKEKIISGDVKVPETPEEN
Consensus
[pKd Mean = 7.10]		-577
(s=0)		14
(s=0)		MKNKTIILGGFTEMKKAKLFGLGAVALAAGLFLGACGNNGSTDSSGGKSSSDTTTAALITDTGGVDDRSFNQSAWEGLEKWGKDQGLSRGNDGFQYFQSSNESDYIPNIDQALNAGFKTIFGIGYKLKPAIQEQATNNTGTNFVIIDDVIDGLDNVVSATFKDNEASYLAGVAAAYTTETNVVGFIGGVKGEVIDRFDAGFKAGVDAGAKELGKEIKVLNQYAGDFSAPDKGRSIAQGMYAQNADIIFHASGGTGNGVFQEAKSLNESGDKKVWVIGVDRDQSDEGEYTLNGEKKNFTLTSTLKAVGTVVEDLAQKSADGKFPGGEHTVYGLKEDGVGLTEGQLSDEAKKAVDEAKEKIISGDVKVPETPEEN



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]
THR60CG2111[O],
THR60OG1711[O], 3[N], 3[C],
ASP61OD11216[C], 5[N], 1[O],
ASP61CG1115[N], 5[C], 1[O],
ASP61OD21115[N], 5[C], 1[O],
THR62CG2812[N], 5[C], 1[O],
THR62OG11111[O], 5[C], 5[N],
ASP67OD1611[N], 3[C], 2[O],
ASP67OD21613[O], 4[N], 9[C],
ASP67CG812[O], 2[N], 4[C],
SER69OG1519[C], 2[N], 4[O],
PHE70CD12015[N], 10[C], 5[O],
PHE70CE120110[C], 5[N], 5[O],
PHE70CE220110[C], 5[N], 5[O],
PHE70CZ2015[O], 5[N], 10[C],
PHE70CG20110[C], 5[N], 5[O],
PHE70CD22015[N], 10[C], 5[O],
ASN71CG1317[C], 5[N], 1[O],
ASN71OD11311[O], 7[C], 5[N],
ASN71ND21613[O], 8[C], 5[N],
SER73OG111[O],
ILE123CG2714[C], 3[N],
ILE123CG11317[C], 5[N], 1[O],
ILE123CD11518[C], 5[N], 2[O],
TYR125CD2914[N], 4[C], 1[O],
TYR125CE21115[C], 4[N], 2[O],
TYR125CE1411[C], 3[N],
TYR125CZ613[C], 3[N],
TYR125CD1311[C], 2[N],
TYR125CG411[C], 3[N],
LYS126CD612[C], 3[N], 1[O],
LYS126CE814[C], 3[N], 1[O],
LYS126NZ814[C], 3[N], 1[O],
LYS126CG513[N], 2[C],
LEU127CD1212[N],
LEU127CG111[N],
ILE146CG2311[C], 2[O],
ASP147OD11213[O], 3[N], 6[C],
ASP147OD21914[O], 10[C], 5[N],
ASP147CG1614[N], 9[C], 3[O],
ASP148OD2111[N],
PHE161CD2111[O],
PHE161CG212[O],
PHE161CD1312[O], 1[C],
PHE161CE1212[O],
ASP163CG612[O], 4[C],
ASP163OD2915[C], 4[O],
ASP163OD1513[C], 2[O],
VAL189CG11512[O], 8[C], 5[N],
VAL189CG2212[N],
GLU192CG311[C], 2[N],
VAL193CG2713[O], 4[C],
VAL193CG1111[O],
ILE194CD11915[N], 10[C], 4[O],
ILE194CG2812[O], 5[C], 1[N],
ILE194CG11418[C], 3[N], 3[O],
PHE197CD1914[O], 5[C],
PHE197CE1915[C], 4[O],
PHE197CG914[O], 5[C],
PHE197CE21211[N], 7[C], 4[O],
PHE197CD21014[O], 1[N], 5[C],
PHE197CZ1111[N], 6[C], 4[O],
ASP225OD1311[C], 1[N], 1[O],
PHE226CE220110[C], 5[N], 5[O],
PHE226CZ2015[O], 5[N], 10[C],
PHE226CD12015[O], 10[C], 5[N],
PHE226CE12015[O], 5[N], 10[C],
PHE226CD21914[O], 5[N], 10[C],
PHE226CG1914[O], 5[N], 10[C],
SER227OG211[C], 1[O],
PHE248CZ111[C],
PHE248CE1111[C],
HIS249CG211[O], 1[C],
HIS249NE2211[O], 1[C],
HIS249CE1311[C], 2[O],
HIS249ND1412[C], 2[O],
SER251OG513[C], 2[O],
THR254OG1111[N],
VAL278CG11214[O], 2[N], 6[C],
VAL278CG21116[C], 1[N], 4[O],
ASP279CG1414[O], 2[N], 8[C],
ASP279OD11414[O], 8[C], 2[N],
ASP279OD21619[C], 3[N], 4[O],
GLN282OE1111[O],
GLN282CD111[O],
GLN282NE2111[O],
LYS304CG713[O], 4[C],
LYS304CD1011[N], 5[C], 4[O],
LYS304NZ1413[N], 7[C], 4[O],
LYS304CE1217[C], 1[N], 4[O],
VAL306CG1312[C], 1[O],
VAL306CG2612[O], 4[C],
Total = 92



Download csv file of statistical distribution of contacts