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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: 0K3_A_2(4DE8) / Model_55(4DE8/A) = [6.6] Download1846.9015.84MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTFSESRWTFPIYIISNICLLYNT
Complex: ZTP_A_3(3TFL) / Model_2(3TFL/A) = [5.5] Download1542.3117.33MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTFSESRWTFPIYIISNICLLYNT
Complex: DSL_A_2(2XXP) / Model_3(2XXP/A) = [4.9] Download1594.5420.74MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTFSESRWTFPIYIISNICLLYNT
Consensus
[pKd Mean = 5.67]		-1661
(s=132)		17
(s=2)		MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTFSESRWTFPIYIISNICLLYNT



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]
PHE226CE131331[C],
PHE226CD120320[C],
PHE226CZ39339[C],
PHE226CG15315[C],
PHE226CE229329[C],
PHE226CD219319[C],
ILE228CG237337[C],
ILE228CD143343[C],
ILE228CG131331[C],
VAL230CG150350[C],
VAL230CG247347[C],
SER231OG131[C],
ILE233CG2737[C],
ILE233CG1838[C],
ILE233CD1434[C],
ASP234OD235316[C], 4[P], 15[O],
ASP234CG41315[O], 22[C], 4[P],
ASP234OD140313[O], 4[P], 23[C],
THR235CG2232[C],
TYR236CE2131[O],
ILE239CD1131[C],
SER243OG131[O],
ARG244NE1539[O], 2[P], 4[C],
ARG244CD17310[O], 4[P], 3[C],
ARG244CG933[C], 1[P], 5[O],
ARG244CZ1434[C], 2[P], 8[O],
SER245OG131[C],
ASP246OD243315[O], 24[C], 4[P],
ASP246OD134312[O], 4[P], 18[C],
ASP246CG4334[P], 24[C], 15[O],
VAL247CG253350[C], 3[O],
VAL247CG150350[C],
ASN248OD1131[C],
ILE249CD129329[C],
ILE249CG120320[C],
ILE249CG214314[C],
MET251SD53353[C],
MET251CE54354[C],
MET251CG40340[C],
VAL253CG132332[C],
VAL253CG236336[C],
ARG255NE16316[C],
ARG255CD14314[C],
ARG255CZ939[C],
ARG255CG19319[C],
LYS258CD333[C],
LYS258NZ939[C],
LYS258CE10310[C],
ILE260CG126326[C],
ILE260CD139339[C],
ILE260CG217317[C],
LEU262CD1131[C],
LEU262CD213313[C],
ARG267CG1531[P], 9[C], 5[O],
ARG267NE30312[O], 14[C], 4[P],
ARG267CZ35316[C], 4[P], 15[O],
ARG267CD2733[P], 13[C], 11[O],
ASP268OD2433[O], 1[P],
ASP268OD1232[O],
ASP268CG232[O],
THR285OG1332[O], 1[C],
THR285CG2131[O],
ILE308CG1535[C],
ILE308CG2131[C],
ILE308CD1737[C],
ILE310CD114314[C],
ILE310CG212312[C],
ILE310CG112312[C],
SER312OG16316[C],
ASN313CG333[C],
ASN313ND2131[C],
ASN313OD1232[C],
ILE314CD11238[C], 1[P], 3[O],
ILE314CG2434[C],
ILE314CG11332[O], 10[C], 1[P],
LEU316CD1131[C],
LEU316CG131[C],
LEU317CD215315[C],
LEU317CG15315[C],
LEU317CD116316[C],
THR320CG2838[C],
THR320OG1636[C],
Total = 82



Download csv file of statistical distribution of contacts