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(3CRZ) / Model_4(3CRZ/A) = [11.1] Download551.0417.50MSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRIQEIAETFGEGHLGFKFIPIITRDPSAPLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALKRCGLTMNRRGEGNIAVENYW
Consensus
[pKd Mean = 11.10]
-551
(s=0)
17
(s=0)
MSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGLKVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLPHDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAYVDRIQEIAETFGEGHLGFKFIPIITRDPSAPLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALKRCGLTMNRRGEGNIAVENYW



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]
THR20OG1211[N], 1[C],
LEU21CG211[N], 1[O],
LEU21CD2814[C], 1[O], 3[N],
PHE22CD1111[O],
PHE22CE1311[C], 2[O],
PHE22CZ111[O],
PHE24CE2311[C], 1[N], 1[O],
PHE24CZ111[N],
PHE39CE1911[N], 8[C],
PHE39CD21219[C], 2[N], 1[O],
PHE39CG1312[N], 1[O], 10[C],
PHE39CZ918[C], 1[N],
PHE39CE21018[C], 1[N], 1[O],
PHE39CD11019[C], 1[N],
ILE42CD11115[C], 2[N], 4[O],
ILE42CG1911[N], 3[O], 5[C],
ILE51CG1111[O],
ILE51CG2411[P], 3[O],
ARG53CD25110[O], 3[N], 10[C], 2[P],
ARG53NE2011[N], 10[O], 7[C], 2[P],
ARG53CZ17110[O], 2[P], 5[C],
ARG53CG24110[O], 3[N], 2[P], 9[C],
TYR55CE132110[O], 6[N], 1[P], 15[C],
TYR55CD12816[O], 6[N], 1[P], 15[C],
TYR55CZ3116[N], 8[O], 1[P], 16[C],
TYR55CE22616[N], 6[O], 14[C],
TYR55CG26115[C], 6[O], 5[N],
TYR55CD223113[C], 5[O], 5[N],
SER56OG19113[C], 4[N], 2[O],
VAL58CG1612[N], 1[O], 3[C],
VAL58CG2111[O],
PHE68CD2111[O],
PHE68CD1612[N], 1[O], 3[C],
PHE68CZ111[O],
PHE68CG513[C], 1[N], 1[O],
PHE68CE1512[N], 1[O], 2[C],
PHE69CE1411[C], 1[N], 2[O],
PHE69CD1512[O], 1[N], 2[C],
PHE69CD2813[N], 2[O], 3[C],
PHE69CG713[C], 2[O], 2[N],
PHE69CZ411[C], 2[O], 1[N],
PHE69CE2612[O], 2[N], 2[C],
SER70OG22111[C], 1[P], 5[O], 5[N],
ILE71CG242120[C], 2[P], 8[N], 12[O],
ILE71CG13319[O], 7[N], 16[C], 1[P],
ILE71CD119110[C], 2[O], 7[N],
VAL72CG2111[O],
VAL72CG1111[O],
VAL73CG128111[O], 3[N], 2[P], 12[C],
VAL73CG23716[N], 13[O], 16[C], 2[P],
PRO74CD513[C], 2[O],
PHE78CG1412[P], 4[C], 8[O],
PHE78CZ814[O], 3[C], 1[P],
PHE78CE1714[O], 1[P], 2[C],
PHE78CE21311[N], 6[O], 5[C], 1[P],
PHE78CD21819[O], 1[N], 6[C], 2[P],
PHE78CD1814[O], 3[C], 1[P],
THR79OG129111[O], 4[N], 12[C], 2[P],
THR79CG23116[N], 11[O], 12[C], 2[P],
SER80OG411[P], 3[O],
LEU82CG311[C], 2[O],
LEU82CD1111[O],
LEU82CD21111[P], 4[C], 2[N], 4[O],
TYR98CD1313[C],
TYR98CZ515[C],
TYR98CD2111[C],
TYR98CE1515[C],
TYR98CE2313[C],
TYR98CG111[C],
LEU101CD1212[C],
LEU101CG111[C],
THR119OG1211[C], 1[N],
THR121OG13019[N], 4[O], 17[C],
THR121CG223111[C], 3[O], 9[N],
PRO125CD916[C], 2[N], 1[O],
PRO125CG614[C], 1[N], 1[O],
CYS219SG1311[O], 2[N], 10[C],
ASN221ND2612[N], 4[C],
ASN221CG1014[N], 6[C],
ASN221OD11311[O], 5[N], 7[C],
PRO222CD512[N], 3[C],
PRO222CG111[C],
GLU250OE114111[C], 2[N], 1[O],
GLU250CG911[N], 8[C],
GLU250CD1011[N], 9[C],
GLU250OE2918[C], 1[N],
ASN251CG515[C],
ASN251OD1212[C],
ASN251ND2515[C],
Total = 89



Download csv file of statistical distribution of contacts