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 :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_A_3(2RGH) / Model_55(2RGH/A) = [13.1] Download482.1528.56MNKEEIHMFSNKTRQDSIQKMQQEELDLLIIGGGITGAGVAVQSAASGIKTGLIEMQDFAEGTSSRSTKLVHGGIRYLKTFDVEVVADTVGERAVVQSIAPHIPKPDPMLLPIYEGEGATTFNMFSVKVAMDLYDKLANVTGTKYENYTLTPEEVLEREPFLKKEGLKGAGVYLDFRNNDARLVIDNIKKAAEDGAYLVSKMKAVGFLYDGDQIVGVKARDLLTDEVIEIKAKLVINTSGPWVDKVRNLNFTRPVSPKMRPTKGIHLVVDAKKLPVPQPTYFDTGKQDGRMVFAIPRENKTYFGTTDTDYQGDFTDPKVTQEDVDYLLDVINHRYPEANITLNDIEASWAGLRPLLIGNSGSDYNGGDNGSISDKSFNKVVDTVSEYKENKVSRAEVEDVLNHLENSRDEKAPSTISRGSSLEREPDGLLTLSGGKITDYRKMAEGALRLIRQLLKEEYGIETKEIDSKKYQISGGNFDPTKLEETVTELAKEGVAAGLEEEDATYIADFYGTNARRIFELAKEMAPYPGLSLAESARLRYGLEEEMVLAPGDYLIRRTNHLLFERDQLDEIKQPVIDAIAGYFEWTEEEKAQQTKRLEALIAESDLRELKGEK
Consensus
[pKd Mean = 13.10]		-482
(s=0)		28
(s=0)		MNKEEIHMFSNKTRQDSIQKMQQEELDLLIIGGGITGAGVAVQSAASGIKTGLIEMQDFAEGTSSRSTKLVHGGIRYLKTFDVEVVADTVGERAVVQSIAPHIPKPDPMLLPIYEGEGATTFNMFSVKVAMDLYDKLANVTGTKYENYTLTPEEVLEREPFLKKEGLKGAGVYLDFRNNDARLVIDNIKKAAEDGAYLVSKMKAVGFLYDGDQIVGVKARDLLTDEVIEIKAKLVINTSGPWVDKVRNLNFTRPVSPKMRPTKGIHLVVDAKKLPVPQPTYFDTGKQDGRMVFAIPRENKTYFGTTDTDYQGDFTDPKVTQEDVDYLLDVINHRYPEANITLNDIEASWAGLRPLLIGNSGSDYNGGDNGSISDKSFNKVVDTVSEYKENKVSRAEVEDVLNHLENSRDEKAPSTISRGSSLEREPDGLLTLSGGKITDYRKMAEGALRLIRQLLKEEYGIETKEIDSKKYQISGGNFDPTKLEETVTELAKEGVAAGLEEEDATYIADFYGTNARRIFELAKEMAPYPGLSLAESARLRYGLEEEMVLAPGDYLIRRTNHLLFERDQLDEIKQPVIDAIAGYFEWTEEEKAQQTKRLEALIAESDLRELKGEK



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]
ILE31CG21515[N], 9[C], 1[O],
ILE31CG1915[N], 4[C],
ILE31CD1814[N], 4[C],
ILE35CG22012[P], 11[O], 6[C], 1[N],
ILE35CD1511[C], 3[O], 1[P],
ILE35CG11011[P], 3[C], 6[O],
THR36CG21012[P], 5[O], 3[C],
THR36OG11712[P], 6[C], 9[O],
LEU53CD2311[N], 1[C], 1[O],
LEU53CG211[N], 1[C],
ILE54CG2311[C], 2[N],
ILE54CD1713[N], 4[C],
ILE54CG1814[C], 4[N],
GLU55OE22318[O], 10[C], 1[P], 4[N],
GLU55CD2114[N], 6[O], 10[C], 1[P],
GLU55CG17110[C], 4[O], 3[N],
GLU55OE12116[O], 10[C], 1[P], 4[N],
MET56CG1815[N], 3[O], 10[C],
MET56SD1719[C], 3[O], 5[N],
MET56CE18110[C], 3[O], 5[N],
GLN57CD1618[C], 5[O], 3[N],
GLN57NE21811[P], 8[C], 6[O], 3[N],
GLN57OE1613[C], 2[O], 1[N],
GLN57CG1613[N], 10[C], 3[O],
PHE59CD1111[O],
PHE59CG111[O],
GLU61OE2111[O],
GLU61OE1212[O],
GLU61CD212[O],
GLU61CG412[C], 2[O],
THR63CG23113[N], 16[C], 10[O], 2[P],
THR63OG12811[N], 14[C], 11[O], 2[P],
SER64OG2112[P], 11[O], 8[C],
SER65OG212[O],
ARG66CG914[O], 5[C],
ARG66NE411[P], 3[O],
ARG66CD714[C], 2[O], 1[P],
SER67OG25116[C], 5[O], 4[N],
THR68CG21212[N], 9[C], 1[O],
THR68OG119113[C], 2[O], 4[N],
LYS69CG211[O], 1[C],
LYS69CD611[N], 1[O], 4[C],
LEU70CD1612[N], 3[C], 1[O],
LEU70CD2311[N], 1[O], 1[C],
LEU70CG612[N], 1[O], 3[C],
VAL71CG1512[O], 2[C], 1[N],
VAL71CG2311[N], 1[O], 1[C],
HIS72CE11115[C], 2[O], 4[N],
HIS72CD21114[N], 5[C], 2[O],
HIS72ND1912[O], 4[C], 3[N],
HIS72NE21414[N], 2[O], 8[C],
HIS72CG913[N], 2[O], 4[C],
THR89CG2311[O], 1[C], 1[N],
ASN178ND2712[N], 3[C], 2[O],
ASN178CG411[N], 2[O], 1[C],
ASP180OD1212[O],
ASP180CG1216[C], 3[O], 3[N],
ASP180OD22214[N], 4[O], 14[C],
LEU183CD1111[O],
VAL184CG1414[O],
VAL184CG21012[P], 6[O], 2[C],
MET202CG311[C], 2[N],
MET202SD111[C],
LYS203CE1015[C], 5[N],
LYS203CD1015[N], 5[C],
LYS203NZ813[N], 5[C],
LYS203CG1211[O], 6[C], 5[N],
VAL205CG2111[N],
VAL205CG1412[C], 2[N],
VAL217CG2111[N],
LEU222CG211[N], 1[C],
LEU222CD1412[C], 2[N],
ASN237CG312[C], 1[N],
ASN237OD11418[C], 1[O], 5[N],
THR238CG2312[O], 1[P],
THR238OG11115[O], 3[C], 1[P], 2[N],
SER239OG2115[O], 10[C], 1[P], 5[N],
PRO241CG2112[P], 9[O], 10[C],
PRO241CD2411[N], 12[O], 9[C], 2[P],
TRP242NE11719[C], 4[O], 4[N],
TRP242CG2216[O], 10[C], 1[P], 5[N],
TRP242CZ32213[N], 2[P], 8[C], 9[O],
TRP242CE32313[N], 2[P], 9[O], 9[C],
TRP242CZ21712[N], 8[C], 6[O], 1[P],
TRP242CE21914[N], 1[P], 9[C], 5[O],
TRP242CD11819[C], 4[O], 5[N],
TRP242CD22111[P], 9[C], 7[O], 4[N],
VAL243CG2411[P], 1[C], 2[O],
LYS245CD211[C], 1[N],
LYS245CG211[N], 1[C],
VAL246CG21317[C], 1[O], 5[N],
VAL246CG11015[C], 5[N],
LEU249CG211[C], 1[N],
LEU249CD1513[N], 2[C],
LEU249CD2211[N], 1[C],
MET259CE111[O],
THR262OG1515[C],
LYS263CG414[C],
ILE265CG2111[C],
ILE265CG1111[C],
HIS266CE11412[N], 11[C], 1[O],
HIS266CD2811[O], 6[C], 1[N],
HIS266ND11019[C], 1[N],
HIS266CG615[C], 1[N],
HIS266NE214111[C], 1[O], 2[N],
GLN278NE2111[O],
PHE293CD1211[N], 1[O],
PHE293CG111[O],
PHE293CE2111[O],
PHE293CZ311[N], 1[C], 1[O],
PHE293CE1412[C], 1[O], 1[N],
ILE295CD1111[O],
THR305OG1918[C], 1[N],
THR305CG21111[O], 9[C], 1[N],
THR306CG2111[C],
PHE314CD2111[C],
THR315CG2712[N], 1[O], 4[C],
THR315OG1111[O],
PRO317CG111[C],
TRP349CD2111[C],
TRP349CD1515[C],
TRP349CZ2313[C],
TRP349NE1911[N], 8[C],
TRP349CG111[C],
TRP349CE2313[C],
LEU352CD2111[C],
LEU352CG111[C],
LEU352CD1212[C],
ARG353NE14112[C], 2[N],
ARG353CZ13111[C], 2[N],
ARG353CG18113[C], 2[O], 3[N],
ARG353CD17113[C], 2[O], 2[N],
PRO354CG2312[P], 9[O], 10[C], 2[N],
PRO354CD2512[N], 9[O], 12[C], 2[P],
LEU355CD2611[N], 4[C], 1[O],
LEU432CG111[O],
LEU432CD2111[O],
LYS436NZ1814[N], 4[O], 10[C],
LYS436CG2114[N], 12[C], 5[O],
LYS436CE1914[N], 11[C], 4[O],
LYS436CD1814[O], 10[C], 4[N],
ILE437CG21816[O], 9[C], 3[N],
ILE437CG12812[P], 10[O], 12[C], 4[N],
ILE437CD12711[P], 14[C], 8[O], 4[N],
THR438CG2412[N], 1[C], 1[O],
THR438OG1912[O], 4[C], 3[N],
ASP439OD2411[N], 2[O], 1[C],
ASP439CG411[N], 1[C], 2[O],
ASP439OD1211[C], 1[O],
TYR440CD2111[O],
MET443CE614[O], 1[C], 1[P],
MET443SD814[O], 3[C], 1[P],
Total = 152



Download csv file of statistical distribution of contacts