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 :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: NAD_F_6(1EZ4) / Model_46(1EZ4/B) = [8.9] Download1657.1725.33MTAAAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIVDINTAKTEGDAIDLSHALAFTSPKKIYSATYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINRDVVTQIVESGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPEIDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVFMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKEILDEAFAKLDAE
Complex: OXM_D_9(2XXJ) / Model_87(2XXJ/D) = [3.6] Download302.4928.24MTAAAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIVDINTAKTEGDAIDLSHALAFTSPKKIYSATYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINRDVVTQIVESGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPEIDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVFMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKEILDEAFAKLDAE
Consensus
[pKd Mean = 6.25]		-979
(s=677)		26
(s=1)		MTAAAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIVDINTAKTEGDAIDLSHALAFTSPKKIYSATYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINRDVVTQIVESGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPEIDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVFMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKEILDEAFAKLDAE



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]
VAL16CG2221[C], 1[N],
VAL16CG11024[N], 1[O], 5[C],
ASP18OD1321[C], 2[O],
ASP18OD2221[O], 1[C],
ASP18CG523[O], 2[C],
VAL21CG12228[O], 2[N], 1[P], 11[C],
VAL21CG23222[P], 3[N], 13[O], 14[C],
SER24OG222[O],
VAL41CG1321[C], 2[N],
ASP42CG19210[C], 4[O], 5[N],
ASP42OD22328[O], 4[N], 1[P], 10[C],
ASP42OD11925[N], 4[O], 10[C],
ILE43CG11628[C], 3[O], 5[N],
ILE43CD11327[C], 1[O], 5[N],
ILE43CG21321[O], 5[N], 7[C],
ASN44OD1222[O],
ASN44ND2422[O], 2[C],
ASN44CG422[C], 2[O],
LYS47NZ1725[C], 1[N], 9[O], 2[P],
LYS47CG422[C], 2[O],
LYS47CE1425[C], 1[P], 8[O],
LYS47CD1121[P], 5[O], 5[C],
THR48CG2222[O],
TYR72CE2522[C], 3[N],
TYR72CD2221[C], 1[N],
TYR72CD1221[C], 1[N],
TYR72CZ723[N], 4[C],
TYR72CG121[C],
TYR72CE1422[C], 2[N],
ILE83CG2221[C], 1[N],
THR84CG21525[O], 1[N], 1[P], 8[C],
THR84OG12523[N], 9[O], 2[P], 11[C],
PRO88CG1322[P], 7[O], 1[N], 3[C],
PRO88CD1922[P], 8[O], 9[C],
GLN89OE1622[C], 3[O], 1[N],
GLN89CG621[N], 3[O], 2[C],
GLN89NE2621[N], 3[O], 2[C],
GLN89CD622[C], 3[O], 1[N],
ARG95NE621[N], 3[O], 2[C],
ARG95CZ623[O], 1[N], 2[C],
ARG95CD621[N], 3[O], 2[C],
ARG95CG623[O], 1[N], 2[C],
LEU98CD2422[C], 2[O],
LEU98CD1723[C], 3[O], 1[N],
LEU98CG322[O], 1[C],
ASN102ND2725[C], 2[O],
ASN102CG724[C], 2[O], 1[N],
ASN102OD11123[O], 2[N], 6[C],
LYS104CD121[N],
LYS104CE121[N],
LYS104CG121[N],
ILE105CG21522[O], 5[N], 8[C],
ILE105CD11725[N], 3[O], 9[C],
ILE105CG11226[C], 5[N], 1[O],
ASP108OD1322[N], 1[C],
ASP108OD2623[N], 3[C],
ASP108CG522[N], 3[C],
VAL109CG1422[C], 2[N],
VAL109CG21125[N], 6[C],
VAL124CG1121[N],
ASN127CG2428[O], 3[N], 13[C],
ASN127ND222212[C], 7[O], 3[N],
ASN127OD124213[C], 8[O], 3[N],
PRO128CG121[O],
PRO128CD321[C], 2[O],
VAL129CG11222[N], 3[O], 7[C],
VAL129CG21025[C], 2[N], 3[O],
ASP130OD1121[N],
LEU132CG121[O],
LEU132CD1624[C], 2[O],
THR133OG1121[N],
SER150OG1422[N], 4[O], 8[C],
SER153OG523[C], 1[O], 1[N],
LEU154CD21629[C], 4[O], 3[N],
LEU154CD11321[N], 4[O], 8[C],
LEU154CG1523[N], 4[O], 8[C],
ASP155OD2824[C], 4[O],
ASP155OD11026[C], 4[O],
ASP155CG824[C], 4[O],
ARG158CD422[O], 2[C],
ARG158CG321[C], 2[O],
ARG158CZ1024[O], 1[N], 5[C],
ARG158NE924[C], 1[N], 4[O],
HIS182CG1322[N], 4[O], 7[C],
HIS182NE21723[N], 5[O], 9[C],
HIS182CD21729[C], 5[O], 3[N],
HIS182ND11327[C], 4[O], 2[N],
HIS182CE11528[C], 3[N], 4[O],
GLU186OE2121[O],
GLU186CD121[O],
GLU186OE1121[O],
TYR227CD1422[C], 1[N], 1[O],
TYR227CE1522[O], 1[N], 2[C],
TYR227CZ221[O], 1[N],
TYR227CG121[N],
ILE229CG1422[O], 1[N], 1[C],
ILE229CG2321[C], 1[O], 1[N],
ILE229CD1121[O],
ILE230CG1621[N], 3[O], 2[C],
ILE230CG2121[N],
ILE230CD1924[C], 4[O], 1[N],
THR236CG21427[C], 2[N], 5[O],
THR236OG1925[C], 1[N], 3[O],
PHE237CD1625[O], 1[P],
PHE237CG624[O], 1[P], 1[C],
PHE237CE1221[O], 1[P],
PHE237CE2121[O],
PHE237CD2221[O], 1[P],
PHE237CZ121[O],
ILE240CD11622[N], 5[O], 9[C],
ILE240CG225212[C], 3[N], 9[O], 1[P],
ILE240CG12127[O], 3[N], 11[C],
LEU244CG421[N], 3[C],
LEU244CD1724[C], 1[O], 2[N],
LEU244CD21026[C], 2[O], 2[N],
Total = 115



Download csv file of statistical distribution of contacts