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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: PH2_A_9(2QX0) / Model_13(2QX0/A) = [4.3] Download814.1718.71MDQLQIKDLEMFAYHGLFPSEKELGQKFIVSAILSYDMTKAATDLDLTASVHYGELCQQWTTWFQETSEDLIETVAYKLVERTFESYPLVQEMKLELKKPWAPVHLSLDTCSVTIHRRKQRAFIALGSNMGDKQANLKQAIDKLRARGIHILKESSVLATEPWGGVEQDSFANQVVEVETWLPAQDLLETLLAIESELGRVREVHWGPRLIDLDLLFVEDQILYTDDLILPHPYIAERLFVLESLQEIAPHFIHPILKQPIRNLYDALKK
Consensus
[pKd Mean = 4.30]		-814
(s=0)		18
(s=0)		MDQLQIKDLEMFAYHGLFPSEKELGQKFIVSAILSYDMTKAATDLDLTASVHYGELCQQWTTWFQETSEDLIETVAYKLVERTFESYPLVQEMKLELKKPWAPVHLSLDTCSVTIHRRKQRAFIALGSNMGDKQANLKQAIDKLRARGIHILKESSVLATEPWGGVEQDSFANQVVEVETWLPAQDLLETLLAIESELGRVREVHWGPRLIDLDLLFVEDQILYTDDLILPHPYIAERLFVLESLQEIAPHFIHPILKQPIRNLYDALKK



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]
ASN129OD11116[C], 4[N], 1[O],
ASN129ND21015[N], 5[C],
ASN129CG1216[C], 1[O], 5[N],
THR160OG11011[O], 5[N], 4[C],
THR160CG2611[O], 3[N], 2[C],
GLU161OE1111[N],
GLU161CD111[N],
GLU161CG311[C], 2[N],
PRO162CG914[N], 5[C],
PRO162CD814[C], 4[N],
TRP163CG1217[C], 5[N],
TRP163CZ3212[N],
TRP163CD2815[C], 3[N],
TRP163CD1913[N], 6[C],
TRP163CE3613[C], 3[N],
TRP163CE2412[N], 2[C],
TRP163NE1513[C], 2[N],
GLN168OE1513[C], 2[N],
GLN168NE2815[C], 3[N],
GLN168CG311[C], 2[N],
GLN168CD513[C], 2[N],
SER170OG111[N],
PHE171CE11417[C], 2[O], 5[N],
PHE171CG1417[C], 2[O], 5[N],
PHE171CD11412[O], 5[N], 7[C],
PHE171CD21415[N], 2[O], 7[C],
PHE171CZ1415[N], 2[O], 7[C],
PHE171CE21417[C], 5[N], 2[O],
ASN173OD11216[C], 1[O], 5[N],
ASN173ND21415[N], 2[O], 7[C],
ASN173CG1115[C], 5[N], 1[O],
GLU195OE2111[O],
ARG209CD411[O], 1[N], 2[C],
ARG209CZ411[N], 1[O], 2[C],
ARG209NE412[C], 1[N], 1[O],
ARG209CG815[C], 1[N], 2[O],
ASP212CG916[C], 2[O], 1[N],
ASP212OD21113[N], 2[O], 6[C],
ASP212OD1714[C], 2[O], 1[N],
ASP214CG714[C], 2[O], 1[N],
ASP214OD2916[C], 1[N], 2[O],
ASP214OD1511[N], 2[O], 2[C],
HIS232CE1412[C], 1[N], 1[O],
HIS232CD2211[O], 1[C],
HIS232ND1111[O],
HIS232NE2412[C], 1[N], 1[O],
HIS232CG111[O],
TYR234CG313[C],
TYR234CZ212[C],
TYR234CD1513[C], 1[N], 1[O],
TYR234CE1413[C], 1[O],
ARG238CZ1317[C], 4[N], 2[O],
ARG238CG1211[O], 5[N], 6[C],
ARG238CD1412[O], 5[N], 7[C],
ARG238NE1415[N], 2[O], 7[C],
PHE240CZ1417[C], 5[N], 2[O],
PHE240CD11417[C], 2[O], 5[N],
PHE240CG1211[O], 5[N], 6[C],
PHE240CD21211[O], 5[N], 6[C],
PHE240CE11412[O], 5[N], 7[C],
PHE240CE21415[N], 2[O], 7[C],
VAL241CG2611[O], 2[N], 3[C],
Total = 62



Download csv file of statistical distribution of contacts