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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: LRY_B_5(4UTU) / Model_27(4UTU/B) = [5.3] Download490.9121.96MDTLEQIKGGVVVSCQALENEPLHSSFIMGRMALAAKEGGAVGIRANTTEDINEIKRIVDLPVIGIIKRDYDGSEVFITATEKEVEELLETQAEIIALDATSRKRPTEKTTAELVQMIHEHGRLAMADISTFEEALQAQEDGFDLLSTTLAGYTEYSRKTQTPDFDLLNQIIEQVDIPVIMEGHTDSPEQVEKAYELGAFSVVVGSIITRPQLITKRYVEAASKANN
Complex: RFW_A_6(4UTW) / Model_24(4UTW/A) = [3.9] Download761.6722.91MDTLEQIKGGVVVSCQALENEPLHSSFIMGRMALAAKEGGAVGIRANTTEDINEIKRIVDLPVIGIIKRDYDGSEVFITATEKEVEELLETQAEIIALDATSRKRPTEKTTAELVQMIHEHGRLAMADISTFEEALQAQEDGFDLLSTTLAGYTEYSRKTQTPDFDLLNQIIEQVDIPVIMEGHTDSPEQVEKAYELGAFSVVVGSIITRPQLITKRYVEAASKANN
Consensus
[pKd Mean = 4.60]		-626
(s=135)		22
(s=0)		MDTLEQIKGGVVVSCQALENEPLHSSFIMGRMALAAKEGGAVGIRANTTEDINEIKRIVDLPVIGIIKRDYDGSEVFITATEKEVEELLETQAEIIALDATSRKRPTEKTTAELVQMIHEHGRLAMADISTFEEALQAQEDGFDLLSTTLAGYTEYSRKTQTPDFDLLNQIIEQVDIPVIMEGHTDSPEQVEKAYELGAFSVVVGSIITRPQLITKRYVEAASKANN



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]
SER14OG3222[P], 2[N], 16[O], 12[C],
GLN16OE12722[N], 14[C], 11[O],
GLN16CG24210[O], 12[C], 2[N],
GLN16CD30214[C], 14[O], 2[N],
GLN16NE23322[N], 2[P], 14[C], 15[O],
LEU18CD2522[C], 3[O],
LEU18CD11421[N], 7[C], 6[O],
LEU18CG723[C], 4[O],
GLU21CD323[O],
GLU21OE1424[O],
GLU21OE2622[C], 4[O],
ARG45CD2422[N], 10[O], 12[C],
ARG45CZ2922[N], 12[O], 15[C],
ARG45CG1921[N], 6[O], 12[C],
ARG45NE2822[N], 14[C], 12[O],
ASN47ND2522[O], 3[C],
ASN47CG523[C], 2[O],
ASN47OD1222[O],
ILE64CG2121[O],
ILE66CD12422[N], 10[O], 12[C],
ILE66CG2624[C], 2[O],
ILE66CG11126[C], 4[O], 1[N],
LYS68NZ32216[C], 14[O], 2[N],
LYS68CG1626[O], 8[C], 2[N],
LYS68CD2529[O], 14[C], 2[N],
LYS68CE2722[N], 15[C], 10[O],
PHE77CG1022[N], 2[O], 6[C],
PHE77CE11926[O], 11[C], 2[N],
PHE77CZ1826[O], 10[C], 2[N],
PHE77CD11826[O], 10[C], 2[N],
PHE77CE21424[O], 8[C], 2[N],
PHE77CD21022[N], 2[O], 6[C],
ILE78CG21424[O], 8[C], 2[N],
ILE78CG12028[O], 10[C], 2[N],
ILE78CD12428[O], 14[C], 2[N],
ASP128OD22022[N], 12[C], 6[O],
ASP128CG1622[N], 8[C], 6[O],
ASP128OD11327[C], 4[O], 2[N],
SER147OG522[O], 3[C],
THR149OG12628[O], 16[C], 2[N],
THR149CG235215[O], 16[C], 2[N], 2[P],
LEU150CD21922[N], 10[C], 7[O],
LEU150CG1622[N], 8[C], 6[O],
LEU150CD11122[N], 2[O], 7[C],
TYR153CZ34215[O], 15[C], 2[N], 2[P],
TYR153CD11527[C], 6[O], 2[N],
TYR153CD227210[O], 14[C], 2[N], 1[P],
TYR153CG1822[N], 9[C], 7[O],
TYR153CE23522[N], 2[P], 15[O], 16[C],
TYR153CE123210[C], 9[O], 2[P], 2[N],
GLU182CG3622[P], 2[N], 16[O], 16[C],
GLU182CD35215[C], 16[O], 2[N], 2[P],
GLU182OE12622[N], 2[P], 10[O], 12[C],
GLU182OE238216[C], 18[O], 2[P], 2[N],
HIS184CD21222[P], 2[C], 8[O],
HIS184CG1222[P], 2[C], 8[O],
HIS184ND11422[P], 8[O], 4[C],
HIS184CE11524[C], 8[O], 1[N], 2[P],
HIS184NE21622[N], 2[P], 4[C], 8[O],
THR185OG11022[P], 2[C], 6[O],
THR185CG2522[P], 3[O],
ASP186OD2222[O],
ASP186CG524[O], 1[P],
ASP186OD1826[O], 2[P],
VAL203CG128214[O], 12[C], 2[P],
VAL203CG21127[O], 4[C],
VAL204CG11228[O], 2[C], 2[P],
VAL204CG21222[C], 8[O], 2[P],
SER206OG2122[P], 12[O], 7[C],
ILE207CD1121[O],
ILE207CG1222[O],
ILE207CG2826[O], 2[P],
ILE208CD1121[O],
ILE208CG1222[O],
THR209OG11325[C], 6[O], 2[P],
ARG210CD2228[C], 12[O], 2[P],
ARG210CZ3622[N], 2[P], 18[O], 14[C],
ARG210NE2222[P], 10[C], 10[O],
ARG210CG1123[C], 6[O], 2[P],
LEU213CD11522[C], 11[O], 2[P],
LEU213CG222[O],
LEU213CD2222[O],
Total = 82



Download csv file of statistical distribution of contacts