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 :C5_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 C5_S1
Complex: U5P_D_4(1I5E) / Model_24(1I5E/B) = [5.6] Download913.8026.16MAIQEIRHPLIRHKLGLLRRADISTKNFRELAQEVTMLLTYEATKDLPVVDCEIEGWAGNVTTQRIAGKKITIVPILRAGIGMLDGVLNLIPSAKVSVLGLERDEATLEVRTYYKKLVPDVANRIAMIIDPMLATGNSLVAAIDVLKASGCKDIRVMVLVAAPEGIAKVEAAHPDIQLYTASIDNGLNEHGYIVPGLGDAGDKIFGSVQKD
Complex: URA_C_14(1BD4) / Model_43(1BD4/C) = [3.9] Download608.0726.07MAIQEIRHPLIRHKLGLLRRADISTKNFRELAQEVTMLLTYEATKDLPVVDCEIEGWAGNVTTQRIAGKKITIVPILRAGIGMLDGVLNLIPSAKVSVLGLERDEATLEVRTYYKKLVPDVANRIAMIIDPMLATGNSLVAAIDVLKASGCKDIRVMVLVAAPEGIAKVEAAHPDIQLYTASIDNGLNEHGYIVPGLGDAGDKIFGSVQKD
Consensus
[pKd Mean = 4.75]		-760
(s=152)		26
(s=0)		MAIQEIRHPLIRHKLGLLRRADISTKNFRELAQEVTMLLTYEATKDLPVVDCEIEGWAGNVTTQRIAGKKITIVPILRAGIGMLDGVLNLIPSAKVSVLGLERDEATLEVRTYYKKLVPDVANRIAMIIDPMLATGNSLVAAIDVLKASGCKDIRVMVLVAAPEGIAKVEAAHPDIQLYTASIDNGLNEHGYIVPGLGDAGDKIFGSVQKD



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]
ILE76CD1824[O], 4[C],
ILE76CG1322[O], 1[C],
ILE76CG21025[C], 5[O],
ARG78CG222[O],
LEU101CG121[O],
LEU101CD1723[C], 3[O], 1[P],
ARG103CZ222[O],
ARG103NE421[C], 1[P], 2[O],
ARG103CD121[O],
VAL110CG2621[P], 4[O], 1[C],
VAL110CG11026[O], 1[P], 3[C],
ASP130OD12028[O], 1[P], 9[C], 2[N],
ASP130CG1727[O], 1[P], 2[N], 7[C],
ASP130OD22127[O], 1[P], 3[N], 10[C],
PRO131CD1024[O], 1[N], 5[C],
PRO131CG924[O], 4[C], 1[N],
MET132SD21211[C], 4[N], 6[O],
MET132CE1925[O], 10[C], 4[N],
MET132CG2629[O], 13[C], 4[N],
LEU133CG524[O], 1[P],
LEU133CD1621[C], 1[P], 4[O],
LEU133CD2121[O],
THR135OG11125[O], 1[P], 5[C],
THR135CG21226[C], 1[P], 5[O],
ASN137ND2624[O], 1[P], 1[C],
ASN137OD1621[C], 1[P], 4[O],
ASN137CG621[C], 4[O], 1[P],
SER138OG1727[O], 1[P], 2[N], 7[C],
LEU139CG121[O],
LEU139CD2121[O],
VAL158CG1221[O], 1[C],
VAL160CG1623[C], 1[N], 2[O],
LYS168CG222[O],
VAL169CG2121[O],
ASP184OD2121[O],
LEU187CD21421[P], 4[O], 3[N], 6[C],
LEU187CG1025[C], 1[P], 4[O],
LEU187CD11326[C], 6[O], 1[P],
ASN188ND2222[O],
ASN188CG121[O],
ASN188OD1321[O], 2[C],
TYR192CG1825[O], 9[C], 4[N],
TYR192CE11824[N], 9[C], 5[O],
TYR192CZ1824[N], 9[C], 5[O],
TYR192CD21824[N], 9[C], 5[O],
TYR192CE21825[O], 9[C], 4[N],
TYR192CD11824[N], 9[C], 5[O],
ILE193CG21022[O], 6[C], 2[N],
ILE193CG12221[P], 7[O], 10[C], 4[N],
ILE193CD12328[O], 1[P], 10[C], 4[N],
VAL194CG1121[O],
VAL194CG2121[O],
LEU197CD11423[N], 6[C], 5[O],
LEU197CG1023[O], 3[N], 4[C],
LEU197CD2522[O], 1[N], 2[C],
ASP199OD121211[C], 4[N], 6[O],
ASP199OD22124[N], 11[C], 6[O],
ASP199CG2024[N], 10[C], 6[O],
ASP202CG222[O],
ASP202OD1121[O],
ASP202OD2222[O],
LYS203CG222[O],
LYS203CD121[O],
ILE204CD1222[O],
Total = 64



Download csv file of statistical distribution of contacts