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: FAD_A_2(3DA1) / Model_76(3DA1/A) = [7.4] Download639.8122.42MEFSKKTRELSIKKMQERTLDLLIIGGGITGAGVALQAAASGLETGLIEMQDFAEGTSSRSTKLVHGGLRYLKQFDVEVVSDTVSERAVVQQIAPHIPKPDPMLLPVYDEDGATFSLFRLKVAMDLYDLLAGVSNTPTANKVLSKDQVLERQPNLKKEGLVGGGVYLDFRNNDARLVIENIKRANQDGALIANHVKAEGFLFDESGKITGVVARDLLTDQVFEIKARLVINTTGPWSDKVRNLSNKGTQFSQMRPTKGVHLVVDSSKIKVSQPVYFDTGLGDGRMVFVLPRENKTYFGTTDTDYTGDLEHPKVTQEDVDYLLGIVNNRFPESNITIDDIESSWAGLRPLIAGNSASDYNGGNNGTISDESFDNLIATVESYLSKEKTREDVESAVSKLESSTSEKHLDPSAVSRGSSLDRDDNGLLTLAGGKITDYRKMGDEALWSAWLTSSKQNLTVALN
Consensus
[pKd Mean = 7.40]		-639
(s=0)		22
(s=0)		MEFSKKTRELSIKKMQERTLDLLIIGGGITGAGVALQAAASGLETGLIEMQDFAEGTSSRSTKLVHGGLRYLKQFDVEVVSDTVSERAVVQQIAPHIPKPDPMLLPVYDEDGATFSLFRLKVAMDLYDLLAGVSNTPTANKVLSKDQVLERQPNLKKEGLVGGGVYLDFRNNDARLVIENIKRANQDGALIANHVKAEGFLFDESGKITGVVARDLLTDQVFEIKARLVINTTGPWSDKVRNLSNKGTQFSQMRPTKGVHLVVDSSKIKVSQPVYFDTGLGDGRMVFVLPRENKTYFGTTDTDYTGDLEHPKVTQEDVDYLLGIVNNRFPESNITIDDIESSWAGLRPLIAGNSASDYNGGNNGTISDESFDNLIATVESYLSKEKTREDVESAVSKLESSTSEKHLDPSAVSRGSSLDRDDNGLLTLAGGKITDYRKMGDEALWSAWLTSSKQNLTVALN



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]
ILE25CD1714[C], 3[N],
ILE25CG21418[C], 1[O], 5[N],
ILE25CG1915[N], 4[C],
ILE29CG11217[O], 4[C], 1[P],
ILE29CD1711[P], 2[C], 4[O],
ILE29CG218110[O], 5[C], 1[N], 2[P],
THR30CG21112[C], 7[O], 2[P],
THR30OG11612[P], 4[C], 10[O],
LEU47CD2211[C], 1[N],
ILE48CG2814[N], 4[C],
ILE48CG1311[C], 2[N],
ILE48CD1311[C], 2[N],
GLU49CD20110[C], 5[O], 1[P], 4[N],
GLU49OE219110[C], 5[O], 4[N],
GLU49OE12211[P], 4[N], 10[C], 7[O],
GLU49CG1613[N], 4[O], 9[C],
MET50CG18110[C], 3[O], 5[N],
MET50CE1713[O], 9[C], 5[N],
MET50SD1815[N], 3[O], 10[C],
GLN51NE2711[N], 2[O], 4[C],
GLN51CG1116[C], 3[O], 2[N],
GLN51CD812[O], 5[C], 1[N],
GLN51OE1711[N], 4[C], 2[O],
ASP52CG111[O],
PHE53CG111[O],
PHE53CD1111[O],
GLU55CD311[C], 2[O],
GLU55OE1211[C], 1[O],
GLU55CG712[O], 5[C],
GLU55OE2111[O],
THR57OG12612[P], 1[N], 13[C], 10[O],
THR57CG23112[P], 3[N], 16[C], 10[O],
SER58OG22112[O], 8[C], 2[P],
SER59OG412[O], 2[C],
ARG60CD612[O], 4[C],
ARG60CG414[C],
ARG60NE412[O], 2[C],
SER61OG2614[N], 17[C], 5[O],
THR62OG11814[N], 12[C], 2[O],
THR62CG219113[C], 2[O], 4[N],
LYS63CD513[C], 1[O], 1[N],
LYS63CG611[O], 3[C], 2[N],
LYS63NZ614[C], 2[N],
LEU64CD1712[O], 3[C], 2[N],
LEU64CG914[C], 2[O], 3[N],
LEU64CD2311[N], 1[C], 1[O],
VAL65CG1311[O], 1[C], 1[N],
VAL65CG2311[N], 1[O], 1[C],
HIS66CD2913[N], 4[C], 2[O],
HIS66CE11317[C], 2[O], 4[N],
HIS66NE21114[N], 2[O], 5[C],
HIS66ND11112[O], 5[C], 4[N],
HIS66CG914[C], 2[O], 3[N],
ASP168OD2111[O],
ASN171ND21014[C], 4[O], 2[N],
ASN171CG712[C], 3[O], 2[N],
ASN171OD1912[N], 3[O], 4[C],
ASP173CG712[N], 2[O], 3[C],
ASP173OD215110[C], 2[O], 3[N],
VAL177CG21016[O], 2[C], 2[P],
VAL177CG1711[C], 4[O], 2[P],
VAL195CG2111[C],
VAL195CG1312[N], 1[C],
LYS196NZ714[C], 3[N],
LYS196CD1115[N], 1[O], 5[C],
LYS196CE1115[C], 1[O], 5[N],
LYS196CG1115[C], 1[O], 5[N],
GLU198CD111[N],
GLU198CG311[C], 2[N],
PHE200CZ111[N],
PHE200CE2111[N],
VAL211CG1111[N],
VAL211CG2111[N],
LEU216CD2111[O],
ASN231ND2111[N],
ASN231OD11215[N], 6[C], 1[O],
ASN231CG512[N], 3[C],
THR232CG2511[P], 4[O],
THR232OG11314[C], 5[O], 2[P], 2[N],
THR233OG12011[P], 5[N], 9[C], 5[O],
THR233CG22014[O], 10[C], 5[N], 1[P],
PRO235CG1718[O], 7[C], 2[P],
PRO235CD2119[O], 9[C], 1[N], 2[P],
TRP236CD22215[N], 1[P], 6[O], 10[C],
TRP236CE21911[P], 4[N], 9[C], 5[O],
TRP236CZ32118[C], 8[O], 2[P], 3[N],
TRP236CD11615[N], 9[C], 2[O],
TRP236CG2111[P], 5[N], 10[C], 5[O],
TRP236CZ21815[O], 9[C], 3[N], 1[P],
TRP236CE32314[N], 2[P], 8[O], 9[C],
TRP236NE11613[O], 9[C], 4[N],
SER237OG614[O], 1[C], 1[P],
LYS239CD814[N], 4[C],
LYS239CE613[C], 3[N],
LYS239NZ613[N], 3[C],
LYS239CG512[N], 3[C],
VAL240CG1512[C], 3[N],
VAL240CG21115[N], 6[C],
LEU243CG111[N],
LEU243CD1512[C], 3[N],
LEU243CD2111[N],
MET253CE111[O],
THR256CG2212[C],
LYS257CD212[C],
LYS257CG212[C],
VAL259CG2111[C],
VAL259CG1111[C],
HIS260NE21411[O], 11[C], 2[N],
HIS260CE11411[O], 11[C], 2[N],
HIS260CG711[N], 6[C],
HIS260CD21111[N], 9[C], 1[O],
HIS260ND11011[N], 9[C],
PHE287CZ412[N], 1[C], 1[O],
PHE287CD2712[N], 1[O], 4[C],
PHE287CE2712[N], 1[O], 4[C],
PHE287CG311[N], 1[O], 1[C],
PHE287CD1111[O],
PHE287CE1211[O], 1[C],
LEU289CD2111[O],
THR299CG21019[C], 1[N],
THR299OG11212[N], 9[C], 1[O],
THR300CG2111[C],
THR300OG1111[C],
ASP301OD1111[C],
LEU308CD1211[C], 1[N],
GLU309OE1512[N], 1[O], 2[C],
GLU309CD1112[O], 7[C], 2[N],
GLU309CG1212[N], 3[O], 7[C],
GLU309OE21715[N], 3[O], 9[C],
TRP343NE1918[C], 1[N],
TRP343CG111[C],
TRP343CE2313[C],
TRP343CZ2313[C],
TRP343CD1616[C],
LEU346CD1111[C],
LEU346CG111[C],
ARG347CG1512[N], 1[O], 12[C],
ARG347CZ13111[C], 2[N],
ARG347NE14111[C], 1[O], 2[N],
ARG347CD1711[O], 13[C], 3[N],
PRO348CD1715[O], 9[C], 1[N], 2[P],
PRO348CG1111[P], 5[O], 5[C],
LEU428CG111[O],
LEU428CD1111[O],
LYS432CG914[C], 5[O],
ILE433CG12814[N], 1[P], 10[O], 13[C],
ILE433CG22214[N], 11[C], 7[O],
ILE433CD13011[P], 4[N], 16[C], 9[O],
THR434CG2412[N], 1[O], 1[C],
THR434OG11214[O], 5[C], 3[N],
ASP435OD2111[O],
ASP435CG111[O],
TYR436CG111[O],
TYR436CD2111[O],
MET439CG111[O],
Total = 155



Download csv file of statistical distribution of contacts