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 :C4_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 C4_S1
Complex: FAD_A_6(2DJI) / Model_4(2DJI/A) = [12.7] Download725.1327.78MTQGKITASAAMLNVLKTWGVDTIYGIPSGTLSSLMDALAEDKDIRFLQVRHEETGALAAVMQAKFGGSIGVAVGSGGPGATHLINGVYDAAMDDTPFLAILGSRPVNELNMDAFQELNQNPMYNGIAVYNKRVAYAEQLPKVIDEACRAAISKKGPAVVEIPVNFGFQEIDENSYYGSGSYERSFIAPALNEVEIDKAVEILNNAERPVIYAGFGGVKAGEVITELSRKIKAPIITTGKNFEAFEWNYEGLTGSAYRVGWKPANEVVFEADTVLFLGSNFAFAEVYEAFKNTEKFIQVDIDPYKLGKRHALDASILGDAGQAAKAILDKVNPVESTPWWRANVKNNQNWRDYMNKLEGKTEGELQLYQVYNAINKHADQDAIYSIDVGNTTQTSTRHLHMTPKNMWRTSPLFATMGIALPGGIAAKKDNPDRQVWNIMGDGAFNMCYPDVITNVQYDLPVINLVFSNAEYGFIKNKYEDTNKHLFGVDFTNADYAKIAEAQGAVGFTVDRIEDIDAVVAEAVKLNKEGKTVVIDARITQHRPLPVEVLELDPKLHSEEAIKAFKEKYEAEELVPFRLFLEEEGLQSRAIK
Consensus
[pKd Mean = 12.70]		-725
(s=0)		27
(s=0)		MTQGKITASAAMLNVLKTWGVDTIYGIPSGTLSSLMDALAEDKDIRFLQVRHEETGALAAVMQAKFGGSIGVAVGSGGPGATHLINGVYDAAMDDTPFLAILGSRPVNELNMDAFQELNQNPMYNGIAVYNKRVAYAEQLPKVIDEACRAAISKKGPAVVEIPVNFGFQEIDENSYYGSGSYERSFIAPALNEVEIDKAVEILNNAERPVIYAGFGGVKAGEVITELSRKIKAPIITTGKNFEAFEWNYEGLTGSAYRVGWKPANEVVFEADTVLFLGSNFAFAEVYEAFKNTEKFIQVDIDPYKLGKRHALDASILGDAGQAAKAILDKVNPVESTPWWRANVKNNQNWRDYMNKLEGKTEGELQLYQVYNAINKHADQDAIYSIDVGNTTQTSTRHLHMTPKNMWRTSPLFATMGIALPGGIAAKKDNPDRQVWNIMGDGAFNMCYPDVITNVQYDLPVINLVFSNAEYGFIKNKYEDTNKHLFGVDFTNADYAKIAEAQGAVGFTVDRIEDIDAVVAEAVKLNKEGKTVVIDARITQHRPLPVEVLELDPKLHSEEAIKAFKEKYEAEELVPFRLFLEEEGLQSRAIK



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]
ASP94CG411[P], 3[O],
ASP94OD2212[O],
ASP94OD1814[O], 3[C], 1[P],
ASP95CG412[O], 2[C],
ASP95OD21014[C], 5[O], 1[P],
LYS155CD211[C], 1[O],
LYS155CE311[N], 1[C], 1[O],
LYS155NZ1016[C], 1[O], 3[N],
TYR212CD1611[P], 5[O],
TYR212CE2111[O],
TYR212CZ613[O], 1[C], 2[N],
TYR212CE1911[P], 2[N], 1[C], 5[O],
PHE215CE1313[O],
PHE215CD21919[C], 5[O], 2[P], 3[N],
PHE215CZ211[C], 1[N],
PHE215CG2012[N], 2[P], 8[O], 8[C],
PHE215CD11011[N], 2[P], 2[C], 5[O],
PHE215CE21114[O], 4[C], 3[N],
VAL218CG2412[C], 1[O], 1[N],
LYS219CD111[N],
ILE236CG2111[O],
THR237CG2211[O], 1[C],
THR237OG1411[P], 3[O],
THR238CG22312[N], 2[P], 9[C], 10[O],
THR238OG12318[C], 10[O], 2[P], 3[N],
LYS240CD2412[N], 2[P], 10[O], 10[C],
LYS240CE1912[P], 7[C], 10[O],
LYS240NZ21111[O], 8[C], 2[P],
LYS240CG2712[N], 2[P], 11[O], 12[C],
ASN241ND2514[O], 1[P],
ASN241OD1411[P], 3[O],
ASN241CG511[P], 4[O],
PHE242CZ412[N], 1[O], 1[C],
PHE242CD2311[C], 1[O], 1[N],
PHE242CE2711[O], 4[C], 2[N],
SER255OG1314[N], 3[O], 6[C],
TYR257CZ511[O], 2[C], 2[N],
TYR257CD21518[C], 3[O], 4[N],
TYR257CG1216[C], 2[O], 4[N],
TYR257CE21211[O], 7[C], 4[N],
TYR257CE1512[C], 1[O], 2[N],
TYR257CD1613[C], 1[O], 2[N],
ARG258CZ411[N], 1[O], 2[C],
ARG258CG712[N], 1[O], 4[C],
ARG258CD614[C], 1[O], 1[N],
ARG258NE614[C], 1[O], 1[N],
VAL259CG12114[N], 14[C], 3[O],
VAL259CG221114[C], 3[O], 4[N],
ASN265CG211[N], 1[O],
ASN265ND2311[O], 1[C], 1[N],
ASN265OD1311[C], 1[O], 1[N],
PHE276CE2814[O], 3[C], 1[P],
PHE276CE1311[P], 2[O],
PHE276CZ1011[P], 7[O], 2[C],
PHE276CD2312[O], 1[C],
PHE276CD1111[O],
PHE276CG111[O],
LEU277CD2311[C], 2[N],
LEU277CD1914[N], 1[O], 4[C],
LEU277CG711[O], 4[C], 2[N],
SER279OG2012[P], 7[C], 11[O],
ASN280ND21612[P], 9[O], 5[C],
ASN280CG1716[C], 9[O], 2[P],
ASN280OD11512[P], 5[C], 8[O],
PHE281CG2311[P], 3[N], 9[C], 10[O],
PHE281CD21417[C], 5[O], 2[N],
PHE281CE12317[O], 11[C], 4[N], 1[P],
PHE281CD12511[P], 4[N], 10[C], 10[O],
PHE281CE21217[C], 3[O], 2[N],
PHE281CZ1815[O], 9[C], 4[N],
PHE283CD22414[N], 15[C], 5[O],
PHE283CE22614[N], 5[O], 17[C],
PHE283CE121114[C], 3[O], 4[N],
PHE283CD11714[N], 3[O], 10[C],
PHE283CZ25116[C], 5[O], 4[N],
PHE283CG2014[O], 12[C], 4[N],
TYR287CZ411[N], 1[O], 2[C],
TYR287CE2111[O],
TYR287CG111[O],
TYR287CE1512[N], 2[C], 1[O],
TYR287CD1311[O], 1[C], 1[N],
TYR287CD2111[O],
GLN298CG211[O], 1[N],
GLN298OE1111[O],
GLN298NE2813[O], 4[C], 1[N],
GLN298CD111[O],
VAL299CG1713[N], 4[C],
VAL299CG2311[C], 2[N],
ASP300OD11915[N], 10[C], 4[O],
ASP300OD22217[O], 10[C], 1[P], 4[N],
ASP300CG1915[N], 4[O], 10[C],
ILE301CG21415[N], 7[C], 2[O],
ILE301CG11813[O], 10[C], 5[N],
ILE301CD11815[N], 10[C], 3[O],
ASP302OD1412[C], 2[O],
ASP302CG711[N], 4[C], 2[O],
ASP302OD2813[O], 4[C], 1[N],
PRO303CD111[O],
LYS305CD1211[N], 1[P], 5[O], 5[C],
LYS305CE1415[C], 7[O], 1[P], 1[N],
LYS305NZ1315[C], 7[O], 1[P],
LYS305CG1512[N], 1[P], 7[C], 5[O],
LYS308CD111[O],
ARG309CZ111[O],
ARG309CG212[O],
ARG309NE313[O],
ASP319OD11015[N], 5[C],
ASP319OD2714[C], 3[N],
ASP319CG814[N], 4[C],
VAL388CG2515[C],
VAL388CG1717[C],
ASN390ND2212[C],
THR392OG1111[C],
GLN393OE122115[C], 3[O], 4[N],
GLN393CD1711[O], 13[C], 3[N],
GLN393NE213111[C], 2[N],
GLN393CG14112[C], 2[N],
THR396OG1811[O], 4[C], 3[N],
THR396CG2211[N], 1[C],
TRP407CE3111[C],
TRP407CZ2514[C], 1[N],
TRP407CZ3911[N], 7[C], 1[O],
THR409CG21611[N], 2[O], 13[C],
THR409OG1717[C],
SER410OG313[C],
PRO411CD1319[C], 3[O], 1[N],
PRO411CG2011[N], 2[P], 7[O], 10[C],
LEU412CD11711[N], 1[P], 6[O], 9[C],
LEU412CD21015[O], 4[C], 1[P],
LEU412CG1111[P], 6[C], 4[O],
ILE418CG2111[C],
PHE473CD1615[C], 1[N],
PHE473CD2515[C],
PHE473CZ12110[C], 1[O], 1[N],
PHE473CE2817[C], 1[N],
PHE473CG313[C],
PHE473CE11119[C], 1[O], 1[N],
VAL546CG2211[C], 1[O],
GLU547CD111[O],
GLU547CG111[O],
GLU547OE1111[O],
Total = 141



Download csv file of statistical distribution of contacts