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 :C2_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 C2_S1
Complex: U5P_D_8(4P83) / Model_32(4P83/D) = [7.4] Download483.6113.86MKMQAKEVVDQVTMKRALTRITYEIIERNHSIQDIVLVGIKTRGIYIASRIAERLKQLEDIDIPVGELDITLYRDDKKENPEEPELHSSDIPVSLEGKEVILIDDVLYTGRTIRAAMDAVMDFGRPRKISLAVLVDRGHRELPIRADYVGKNIPTSRAEEILVEMQELDGQDRIMILKEED
Complex: 5GP_B_7(4P86) / Model_30(4P86/B) = [6.5] Download987.7919.33MKMQAKEVVDQVTMKRALTRITYEIIERNHSIQDIVLVGIKTRGIYIASRIAERLKQLEDIDIPVGELDITLYRDDKKENPEEPELHSSDIPVSLEGKEVILIDDVLYTGRTIRAAMDAVMDFGRPRKISLAVLVDRGHRELPIRADYVGKNIPTSRAEEILVEMQELDGQDRIMILKEED
Consensus
[pKd Mean = 6.95]		-735
(s=252)		16
(s=2)		MKMQAKEVVDQVTMKRALTRITYEIIERNHSIQDIVLVGIKTRGIYIASRIAERLKQLEDIDIPVGELDITLYRDDKKENPEEPELHSSDIPVSLEGKEVILIDDVLYTGRTIRAAMDAVMDFGRPRKISLAVLVDRGHRELPIRADYVGKNIPTSRAEEILVEMQELDGQDRIMILKEED



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]
ILE40CD1624[C], 2[O],
ILE40CG21426[O], 8[C],
ILE40CG1422[O], 2[C],
LYS41CE29214[C], 11[O], 1[P], 3[N],
LYS41CG1426[O], 8[C],
LYS41CD2223[N], 9[O], 10[C],
LYS41NZ39214[O], 17[C], 6[N], 2[P],
ARG43NE1424[N], 5[O], 5[C],
ARG43CD1424[N], 4[O], 6[C],
ARG43CZ1825[N], 8[C], 5[O],
ARG43CG824[O], 2[C], 2[N],
ILE70CG1222[O],
ILE70CG2723[C], 4[O],
ILE70CD1222[O],
LEU72CD1523[O], 2[C],
LEU72CG523[O], 2[C],
LEU72CD2926[O], 2[C], 1[P],
TYR73CZ2021[P], 2[N], 9[C], 8[O],
TYR73CE22022[N], 1[P], 8[O], 9[C],
TYR73CD22129[O], 9[C], 1[P], 2[N],
TYR73CD12129[C], 9[O], 2[N], 1[P],
TYR73CG2129[O], 9[C], 1[P], 2[N],
TYR73CE12021[P], 2[N], 9[C], 8[O],
ARG74CZ1222[N], 6[C], 4[O],
ARG74CG1522[N], 8[C], 5[O],
ARG74NE1528[C], 5[O], 2[N],
ARG74CD1422[N], 4[O], 8[C],
GLU82OE1524[O], 1[P],
GLU82CD222[O],
GLU82OE2222[O],
PRO84CG1622[P], 4[C], 10[O],
PRO84CD725[O], 2[P],
ASP104OD12423[N], 12[C], 9[O],
ASP104OD23223[N], 2[P], 14[C], 13[O],
ASP104CG3222[P], 3[N], 13[O], 14[C],
ASP105CG3327[N], 7[O], 19[C],
ASP105OD235219[C], 9[O], 7[N],
ASP105OD136219[C], 10[O], 7[N],
VAL106CG23727[N], 11[O], 19[C],
VAL106CG143215[O], 19[C], 7[N], 2[P],
LEU107CG1322[P], 8[O], 3[C],
LEU107CD2222[O],
LEU107CD11626[C], 8[O], 2[P],
TYR108CD24022[P], 6[N], 19[C], 13[O],
TYR108CG40219[C], 13[O], 2[P], 6[N],
TYR108CD129212[O], 11[C], 4[N], 2[P],
TYR108CE12329[C], 8[O], 2[P], 4[N],
TYR108CE234214[C], 12[O], 2[P], 6[N],
TYR108CZ2322[P], 4[N], 9[C], 8[O],
THR109OG12027[C], 10[O], 2[P], 1[N],
THR109CG21621[N], 2[P], 8[O], 5[C],
ARG111CG1022[P], 8[O],
ARG111NE822[P], 6[O],
ARG111CZ222[O],
ARG111CD1022[P], 8[O],
THR112CG22822[P], 2[N], 10[C], 14[O],
THR112OG134214[O], 15[C], 2[P], 3[N],
ILE113CG11729[O], 6[C], 2[P],
ILE113CG2222[O],
ILE113CD11728[O], 7[C], 2[P],
VAL133CG1423[C], 1[O],
VAL135CG2121[N],
VAL135CG1824[C], 2[O], 2[N],
ARG137CG2722[P], 6[N], 8[O], 11[C],
ARG137NE2025[O], 9[C], 6[N],
ARG137CD35215[C], 11[O], 7[N], 2[P],
ARG137CZ2026[N], 9[C], 5[O],
ARG140CG222[O],
ARG140NE423[O], 1[P],
ARG140CZ222[O],
ARG140CD423[O], 1[P],
GLU141CD321[P], 2[O],
GLU141OE1522[P], 3[O],
GLU141OE2222[O],
GLU141CG222[O],
LEU142CD1424[O],
ILE144CG2222[O],
THR155CG2222[O],
THR155OG1421[C], 2[O], 1[N],
ARG157CZ121[O],
GLU160OE2622[O], 3[C], 1[N],
GLU160CD1022[O], 5[C], 3[N],
GLU160OE11124[N], 2[O], 5[C],
GLU160CG1323[N], 8[C], 2[O],
ILE161CD11124[N], 2[O], 5[C],
ILE161CG11923[O], 9[C], 7[N],
ILE161CG22027[N], 3[O], 10[C],
LEU162CG823[C], 2[O], 3[N],
LEU162CD1624[N], 2[C],
LEU162CD2923[N], 2[O], 4[C],
VAL163CG1723[N], 1[C], 3[O],
VAL163CG22129[C], 5[O], 7[N],
ILE174CG2222[N],
ILE176CG1121[O],
GLU179OE1121[O],
Total = 95



Download csv file of statistical distribution of contacts