Binding Site Information :
Doc...
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 :C1_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 C1_S1
Complex: FAD_B_3(2BC1) / Model_22(2BC1/B) = [13.3] Download760.9927.26MSKIVVVGANHAGTACINTMLDNFGNENEIVVFDQNSNISFLGCGMALWIGEQIDGAEGLFYSDKEKLEAKGAKVYMNSPVLSIDYDAKVVTAEVEGKEHKESYEKLIFATGSTPILPPIEGVEIVKGNREFKATLENVQFVKLYQNAEEVINKLSDKSQHLDRIAVVGGGYIGVELAEAFERLGKEVVLVDIVDTVLNGYYDKDFTQMMAKNLEDHNIRLALGQTVKAIEGDGKVERLITDKESFDVDMVILAVGFRPNTALADGKIELFRNGAFLVDKKQETSIPGVYAVGDCATVYDNARKDTSYIALASNAVRTGIVGAYNACGHELEGIGVQGSNGISIYGLHMVSTGLTLEKAKAAGYNATETGFNDLQKPEFMKHDNHEVAIKIVFDKDSREILGAQMVSHDIAISMGIHMFSLAIQEHVTIDKLALTDLFFLPHFNKPYNYITMAALTAEK
Consensus
[pKd Mean = 13.30]		-760
(s=0)		27
(s=0)		MSKIVVVGANHAGTACINTMLDNFGNENEIVVFDQNSNISFLGCGMALWIGEQIDGAEGLFYSDKEKLEAKGAKVYMNSPVLSIDYDAKVVTAEVEGKEHKESYEKLIFATGSTPILPPIEGVEIVKGNREFKATLENVQFVKLYQNAEEVINKLSDKSQHLDRIAVVGGGYIGVELAEAFERLGKEVVLVDIVDTVLNGYYDKDFTQMMAKNLEDHNIRLALGQTVKAIEGDGKVERLITDKESFDVDMVILAVGFRPNTALADGKIELFRNGAFLVDKKQETSIPGVYAVGDCATVYDNARKDTSYIALASNAVRTGIVGAYNACGHELEGIGVQGSNGISIYGLHMVSTGLTLEKAKAAGYNATETGFNDLQKPEFMKHDNHEVAIKIVFDKDSREILGAQMVSHDIAISMGIHMFSLAIQEHVTIDKLALTDLFFLPHFNKPYNYITMAALTAEK



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]
VAL7CG11418[C], 5[N], 1[O],
VAL7CG2914[C], 5[N],
ASN10CG2319[C], 2[P], 12[O],
ASN10OD12117[C], 2[P], 12[O],
ASN10ND225113[O], 2[P], 10[C],
HIS11ND11912[N], 9[O], 1[P], 7[C],
HIS11CD22512[P], 10[C], 11[O], 2[N],
HIS11CE12013[N], 7[O], 1[P], 9[C],
HIS11NE22614[N], 8[O], 2[P], 12[C],
HIS11CG2112[P], 7[C], 10[O], 2[N],
THR14OG1212[O],
VAL32CG1211[C], 1[N],
PHE33CD1311[C], 2[N],
PHE33CG512[N], 3[C],
PHE33CD2311[C], 2[N],
PHE33CE1111[C],
PHE33CE2111[C],
ASP34OD22114[N], 6[O], 1[P], 10[C],
ASP34CG18110[C], 4[O], 4[N],
ASP34OD11814[N], 4[O], 10[C],
GLN35NE21719[C], 3[O], 5[N],
GLN35CD1815[N], 3[O], 10[C],
GLN35OE11915[N], 4[O], 10[C],
GLN35CG1813[O], 5[N], 10[C],
ASN36OD1513[C], 2[O],
ASN36ND2814[C], 4[O],
ASN36CG811[N], 3[O], 4[C],
ASN38CG212[O],
ASN38OD1312[O], 1[C],
ASN38ND2111[O],
ILE39CG1111[O],
ILE39CG2811[N], 3[O], 4[C],
ILE39CD1111[O],
PHE41CE2511[O], 4[C],
PHE41CD2411[C], 3[O],
LEU42CD2111[O],
LEU42CD11514[O], 4[N], 7[C],
LEU42CG1113[N], 2[O], 6[C],
CYS44SG20113[C], 3[O], 4[N],
MET46CG818[C],
MET46CE1118[C], 2[N], 1[O],
MET46SD818[C],
ILE50CD1111[C],
TYR62CE2212[O],
TYR62CE1111[O],
TYR62CZ514[O], 1[C],
MET77CE211[O], 1[N],
SER79OG111[C],
PRO80CD713[N], 4[C],
PRO80CG714[C], 3[N],
VAL81CG1814[C], 4[N],
VAL81CG2915[N], 4[C],
LEU82CG312[N], 1[C],
LEU82CD2513[C], 2[N],
ILE84CD1212[N],
PHE109CD2512[C], 3[N],
PHE109CE2311[C], 2[N],
THR111OG12015[N], 5[O], 10[C],
THR111CG218110[C], 5[N], 3[O],
SER113OG1718[O], 7[C], 2[P],
THR114CG2714[C], 2[N], 1[O],
PRO115CD111[O],
ARG130NE412[C], 2[N],
ARG130CD713[C], 1[O], 3[N],
VAL142CG1313[C],
VAL142CG2515[C],
LYS143CG1616[O], 1[P], 9[C],
LYS143CD1517[O], 1[P], 7[C],
LYS143NZ27112[O], 13[C], 2[P],
LYS143CE27113[C], 2[P], 12[O],
LEU144CD1412[O], 2[C],
LEU144CG614[O], 2[C],
LEU144CD21215[C], 1[P], 6[O],
TYR172CZ23115[C], 4[O], 4[N],
TYR172CD217112[C], 4[N], 1[O],
TYR172CE22113[O], 4[N], 14[C],
TYR172CG17112[C], 4[N], 1[O],
TYR172CD11912[O], 4[N], 13[C],
TYR172CE12314[N], 4[O], 15[C],
ILE173CG21018[C], 2[N],
ILE173CG11813[N], 2[O], 13[C],
ILE173CD11811[O], 3[N], 14[C],
GLU176OE11513[N], 1[O], 11[C],
GLU176CD1312[N], 1[O], 10[C],
GLU176CG816[C], 1[O], 1[N],
GLU176OE21112[N], 1[O], 8[C],
LEU177CG515[C],
LEU177CD1515[C],
LEU177CD2515[C],
PHE257CZ13111[C], 1[N], 1[O],
PHE257CD2413[C], 1[O],
PHE257CE21012[O], 8[C],
PHE257CD1917[C], 1[N], 1[O],
PHE257CE114111[C], 1[N], 2[O],
PHE257CG511[O], 4[C],
ASN260ND21915[O], 4[N], 1[P], 9[C],
ASN260OD11016[C], 3[N], 1[O],
ASN260CG1611[P], 9[C], 3[O], 3[N],
LEU263CD11015[N], 5[C],
LEU263CG813[N], 5[C],
LEU263CD2613[N], 3[C],
VAL292CG1111[O],
VAL292CG2511[P], 4[O],
ASP294CG22110[O], 2[N], 8[C], 2[P],
ASP294OD12112[P], 7[C], 10[O], 2[N],
ASP294OD225110[O], 2[N], 2[P], 11[C],
CYS295SG513[O], 1[P], 1[C],
TYR308CZ111[O],
ILE309CG2111[O],
LEU311CD11116[C], 3[N], 2[O],
LEU311CD22014[O], 4[N], 12[C],
LEU311CG1814[N], 4[O], 10[C],
SER313OG1012[N], 2[O], 6[C],
ASN314OD1111[O],
ASN314CG212[O],
ASN314ND2212[O],
VAL316CG2212[O],
THR318OG1311[P], 2[O],
Total = 118



Download csv file of statistical distribution of contacts