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_B_5(5TR3) / Model_21(5TR3/B) = [12.9] Download520.3422.69MSQQFDLVVIGGGPGGYEAAIRAAQLGFKVACIEKRIHNGKPSLGGTCLNVGCIPSKALLDSSHRYEDTVHHLADHGITTGEVNFDLAKLLARKDKIVDQLTGGIDQLLKGNGIEWLKGTGKLLAGKKVEFVPHEGETQILEPKYVILASGSVPVNIPVAPVDQDIIVDSTGALNFPEVPKRLGVIGAGVIGLELGSVWRRLGAEVVVFEAMDAFLPMADKALSKEYQKILTKQGLDIRIGAKVSGTEVNGREVTVKYTQGGEDKEQTFDKLIVCVGRKAYAEGLLAEDSGIKLTERGLVEVNDHCATSVEGVYAIGDLVRGPMLAHKAMEEGVMAVERIHGHAAQINYDTIISVIYTHPEAAWVGLTEEQAKEKGHEVKTGQFGFAVNGRALAAGEGAGFVKFVADEKTDRLLGMHVIGPAASDIVHQGMIALEFVSSVEDLQLMTFGHPTFSEVVHEAALAVDGRAIHAIQRKRK
Consensus
[pKd Mean = 12.90]		-520
(s=0)		22
(s=0)		MSQQFDLVVIGGGPGGYEAAIRAAQLGFKVACIEKRIHNGKPSLGGTCLNVGCIPSKALLDSSHRYEDTVHHLADHGITTGEVNFDLAKLLARKDKIVDQLTGGIDQLLKGNGIEWLKGTGKLLAGKKVEFVPHEGETQILEPKYVILASGSVPVNIPVAPVDQDIIVDSTGALNFPEVPKRLGVIGAGVIGLELGSVWRRLGAEVVVFEAMDAFLPMADKALSKEYQKILTKQGLDIRIGAKVSGTEVNGREVTVKYTQGGEDKEQTFDKLIVCVGRKAYAEGLLAEDSGIKLTERGLVEVNDHCATSVEGVYAIGDLVRGPMLAHKAMEEGVMAVERIHGHAAQINYDTIISVIYTHPEAAWVGLTEEQAKEKGHEVKTGQFGFAVNGRALAAGEGAGFVKFVADEKTDRLLGMHVIGPAASDIVHQGMIALEFVSSVEDLQLMTFGHPTFSEVVHEAALAVDGRAIHAIQRKRK



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]
ILE10CD1814[N], 4[C],
ILE10CG21411[O], 5[N], 8[C],
ILE10CG1914[C], 5[N],
PRO14CD2118[C], 2[P], 11[O],
PRO14CG2318[C], 2[N], 2[P], 11[O],
TYR17CD2313[O],
TYR17CE2212[O],
TYR17CG111[O],
CYS32SG211[O], 1[N],
ILE33CD1512[C], 3[N],
ILE33CG1412[C], 2[N],
ILE33CG2814[C], 4[N],
GLU34OE22111[P], 5[N], 10[C], 5[O],
GLU34CD1911[P], 10[C], 4[N], 4[O],
GLU34CG1714[O], 3[N], 10[C],
GLU34OE12318[O], 10[C], 4[N], 1[P],
LYS35CE1719[C], 5[N], 3[O],
LYS35CG1713[O], 9[C], 5[N],
LYS35NZ18110[C], 5[N], 3[O],
LYS35CD1713[O], 9[C], 5[N],
ARG36CZ1511[P], 1[N], 7[C], 6[O],
ARG36NE1616[O], 1[P], 7[C], 2[N],
ARG36CD1311[N], 5[C], 1[P], 6[O],
ARG36CG1013[O], 5[C], 2[N],
SER43OG111[O],
THR47CG23219[O], 3[N], 18[C], 2[P],
THR47OG131113[O], 1[N], 15[C], 2[P],
CYS48SG26113[C], 4[N], 1[P], 8[O],
ASN50CG111[O],
ASN50ND2612[C], 4[O],
ASN50OD1111[O],
VAL51CG2715[C], 2[O],
VAL51CG1111[C],
CYS53SG2817[O], 17[C], 4[N],
ILE54CD1111[O],
PRO55CD611[N], 5[C],
PRO55CG313[C],
SER56OG1411[O], 11[C], 2[N],
LYS57CG711[O], 4[C], 2[N],
LYS57NZ1812[O], 12[C], 4[N],
LYS57CE1514[N], 9[C], 2[O],
LYS57CD1211[O], 9[C], 2[N],
LEU60CD1311[C], 1[N], 1[O],
THR120CG21015[C], 5[N],
THR120OG1915[N], 4[C],
LYS122CG111[N],
VAL129CG1111[N],
PHE131CD1211[C], 1[N],
PHE131CZ111[C],
PHE131CE1312[N], 1[C],
LEU148CD2111[N],
SER150OG1915[N], 10[C], 4[O],
SER152OG23110[O], 1[N], 10[C], 2[P],
VAL153CG1611[N], 3[C], 2[O],
PRO154CD111[C],
PRO154CG212[C],
SER170OG818[C],
THR171OG1313[C],
LEU174CG515[C],
LEU174CD2515[C],
LEU174CD1717[C],
VAL190CG2211[N], 1[C],
VAL190CG115110[C], 4[N], 1[O],
ILE191CG11813[N], 13[C], 2[O],
ILE191CD11913[N], 14[C], 2[O],
ILE191CG21018[C], 2[N],
GLU194CG811[N], 6[C], 1[O],
GLU194OE21514[N], 10[C], 1[O],
GLU194OE11711[O], 12[C], 4[N],
GLU194CD1411[O], 3[N], 10[C],
LEU195CD2515[C],
LEU195CD1515[C],
LEU195CG515[C],
CYS275SG212[C],
ARG278CZ2111[P], 13[C], 1[N], 6[O],
ARG278CD1914[O], 14[C], 1[N],
ARG278NE19114[C], 1[N], 4[O],
ARG278CG1112[O], 1[N], 8[C],
TYR281CZ1415[N], 7[C], 2[O],
TYR281CE11011[O], 6[C], 3[N],
TYR281CE21715[N], 10[C], 2[O],
TYR281CD21813[O], 10[C], 5[N],
TYR281CD11116[C], 3[N], 2[O],
TYR281CG1613[O], 4[N], 9[C],
GLU283OE1211[N], 1[C],
GLU283CD111[N],
GLU283CG212[N],
LEU285CD11211[O], 6[C], 5[N],
LEU285CD2814[N], 4[C],
LEU285CG1015[C], 5[N],
ILE316CG1514[O], 1[P],
ILE316CD1311[P], 2[O],
ILE316CG2111[O],
ASP318CG2212[P], 2[N], 8[C], 10[O],
ASP318OD122111[O], 2[P], 7[C], 2[N],
ASP318OD22512[N], 11[C], 2[P], 10[O],
LEU319CD21312[N], 4[C], 2[P], 5[O],
LEU319CD11916[O], 3[N], 8[C], 2[P],
LEU319CG1516[O], 2[P], 2[N], 5[C],
VAL320CG2111[O],
MET324CG715[C], 2[O],
MET324CE111[O],
MET324SD615[C], 1[O],
LEU325CG1413[O], 3[N], 8[C],
LEU325CD21814[O], 10[C], 4[N],
LEU325CD1812[O], 2[N], 4[C],
HIS327CG511[O], 2[N], 2[C],
HIS327CD2412[N], 1[C], 1[O],
HIS327NE2511[O], 2[C], 2[N],
HIS327ND1913[O], 2[N], 4[C],
HIS327CE1913[O], 4[C], 2[N],
LYS328NZ111[O],
LYS328CD111[O],
LYS328CG111[O],
LYS328CE312[O], 1[C],
GLU332OE1111[O],
ILE352CG2111[O],
VAL355CG2511[N], 2[C], 2[O],
VAL355CG1311[C], 1[N], 1[O],
TYR357CG611[O], 3[C], 2[N],
TYR357CE11212[O], 4[N], 6[C],
TYR357CZ914[C], 3[N], 2[O],
TYR357CD2511[O], 2[N], 2[C],
TYR357CD11116[C], 3[N], 2[O],
TYR357CE2611[O], 3[C], 2[N],
Total = 125



Download csv file of statistical distribution of contacts