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_8(4P83) / Model_28(4P83/D) = [7.5] Download464.005.81MKTKEVVDELTVKRAITRITYEIIERNKDLNKIVLAGIKTRGVFIAHRIQERLKQLENLSVPVVELDTKPFRDDVKSGEDTSLVSVDVTDREVILVDDVLYTGRTIRAAIDNIVGHGRPARVSLAVLVDRGHRELPIRPDYVGKNIPTSRSEEIIVEMTELDDQDRVLITEEA
Complex: 5GP_D_11(4P86) / Model_32(4P86/D) = [6.7] Download1084.199.67MKTKEVVDELTVKRAITRITYEIIERNKDLNKIVLAGIKTRGVFIAHRIQERLKQLENLSVPVVELDTKPFRDDVKSGEDTSLVSVDVTDREVILVDDVLYTGRTIRAAIDNIVGHGRPARVSLAVLVDRGHRELPIRPDYVGKNIPTSRSEEIIVEMTELDDQDRVLITEEA
Consensus
[pKd Mean = 7.10]		-774
(s=310)		7
(s=2)		MKTKEVVDELTVKRAITRITYEIIERNKDLNKIVLAGIKTRGVFIAHRIQERLKQLENLSVPVVELDTKPFRDDVKSGEDTSLVSVDVTDREVILVDDVLYTGRTIRAAIDNIVGHGRPARVSLAVLVDRGHRELPIRPDYVGKNIPTSRSEEIIVEMTELDDQDRVLITEEA



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]
ILE38CD1624[C], 2[O],
ILE38CG1422[C], 2[O],
ILE38CG21526[O], 9[C],
LYS39NZ39214[O], 6[N], 17[C], 2[P],
LYS39CG1426[O], 8[C],
LYS39CE29211[O], 1[P], 14[C], 3[N],
LYS39CD24210[O], 11[C], 3[N],
ARG41NE1425[O], 4[N], 5[C],
ARG41CD1424[O], 6[C], 4[N],
ARG41CG624[O], 1[N], 1[C],
ARG41CZ1728[C], 4[N], 5[O],
THR68OG1222[O],
THR68CG2724[O], 3[C],
PHE71CD12129[O], 2[N], 9[C], 1[P],
PHE71CD22122[N], 9[C], 1[P], 9[O],
PHE71CE21929[C], 1[P], 2[N], 7[O],
PHE71CE12022[N], 1[P], 9[C], 8[O],
PHE71CG2129[O], 2[N], 1[P], 9[C],
PHE71CZ1922[N], 9[C], 1[P], 7[O],
ARG72NE1525[O], 8[C], 2[N],
ARG72CZ1226[C], 2[N], 4[O],
ARG72CD1422[N], 8[C], 4[O],
ARG72CG1525[O], 2[N], 8[C],
ASP80OD1121[O],
ASP80OD2424[O],
ASP80CG121[O],
SER82OG2127[C], 2[P], 12[O],
ASP97OD232213[O], 2[P], 14[C], 3[N],
ASP97OD12423[N], 12[C], 9[O],
ASP97CG32213[O], 2[P], 14[C], 3[N],
ASP98CG3327[N], 19[C], 7[O],
ASP98OD235219[C], 7[N], 9[O],
ASP98OD13627[N], 19[C], 10[O],
VAL99CG143215[O], 19[C], 2[P], 7[N],
VAL99CG237219[C], 7[N], 11[O],
LEU100CD2322[O], 1[P],
LEU100CD11626[C], 2[P], 8[O],
LEU100CG1422[P], 4[C], 8[O],
TYR101CE23325[N], 2[P], 14[C], 12[O],
TYR101CE12228[O], 4[N], 8[C], 2[P],
TYR101CD240213[O], 19[C], 2[P], 6[N],
TYR101CZ2328[O], 2[P], 9[C], 4[N],
TYR101CG39218[C], 2[P], 6[N], 13[O],
TYR101CD129212[O], 4[N], 11[C], 2[P],
THR102CG21628[O], 2[P], 5[C], 1[N],
THR102OG120210[O], 2[P], 7[C], 1[N],
ARG104CD1028[O], 2[P],
ARG104NE826[O], 2[P],
ARG104CG1022[P], 8[O],
ARG104CZ222[O],
THR105CG22922[N], 11[C], 2[P], 14[O],
THR105OG134215[C], 2[P], 3[N], 14[O],
ILE106CG2222[O],
ILE106CG11726[C], 2[P], 9[O],
ILE106CD11722[P], 7[C], 8[O],
LEU124CD2121[O],
VAL126CG1423[C], 1[O],
VAL128CG1822[N], 4[C], 2[O],
VAL128CG2322[N], 1[C],
ARG130CG27211[C], 2[P], 6[N], 8[O],
ARG130CD3522[P], 15[C], 7[N], 11[O],
ARG130NE2126[O], 9[C], 6[N],
ARG130CZ2029[C], 6[N], 5[O],
ARG133CG222[O],
ARG133NE624[O], 2[P],
ARG133CZ322[O], 1[P],
ARG133CD321[P], 2[O],
GLU134CD322[O], 1[P],
GLU134CG222[O],
GLU134OE2222[O],
GLU134OE1522[P], 3[O],
LEU135CD1424[O],
ILE137CG2222[O],
THR148OG1321[C], 2[O],
THR148CG2321[C], 2[O],
ARG150CZ121[O],
GLU153OE2722[O], 3[C], 2[N],
GLU153CD1126[C], 3[N], 2[O],
GLU153CG1625[N], 9[C], 2[O],
GLU153OE11325[N], 6[C], 2[O],
ILE154CG11927[N], 9[C], 3[O],
ILE154CD11122[O], 4[N], 5[C],
ILE154CG21823[O], 6[N], 9[C],
ILE155CG11023[O], 3[N], 4[C],
ILE155CG2621[O], 3[N], 2[C],
ILE155CD1522[O], 3[N],
VAL156CG1723[O], 3[N], 1[C],
VAL156CG21925[O], 6[N], 8[C],
VAL167CG1222[N],
ILE169CG1121[O],
THR170OG1221[O], 1[N],
Total = 91



Download csv file of statistical distribution of contacts