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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DCM_A_5(2JAT) / Model_2(2JAT/A) = [5.3] Download750.4416.13MSVIVLAGTIGAGKSSLTEMMAEHFDSQAFYESIDDNEVLPLFYANPEQYAFLLQIYFLNKRFASIKQAMKDDNNVLDRSIYEDSLLFHLNADLGRATETEVRVYDELLENMMEELPYAAHKKHPDLLVHIRVSFDTMLERIEKRGRSYEQLSFDPSLYDYYKELNRRYDQWYEEYKESPKIQIDGDRYNFVEDPQAKEEVLKMIEEKLAEIRQTKVAI
Consensus
[pKd Mean = 5.30]		-750
(s=0)		16
(s=0)		MSVIVLAGTIGAGKSSLTEMMAEHFDSQAFYESIDDNEVLPLFYANPEQYAFLLQIYFLNKRFASIKQAMKDDNNVLDRSIYEDSLLFHLNADLGRATETEVRVYDELLENMMEELPYAAHKKHPDLLVHIRVSFDTMLERIEKRGRSYEQLSFDPSLYDYYKELNRRYDQWYEEYKESPKIQIDGDRYNFVEDPQAKEEVLKMIEEKLAEIRQTKVAI



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]
THR9OG1411[O], 2[C], 1[P],
THR9CG2111[O],
ILE10CG21416[O], 1[N], 1[P], 6[C],
ILE10CD11917[O], 2[N], 1[P], 9[C],
ILE10CG11917[O], 2[N], 1[P], 9[C],
LYS14CG511[P], 4[O],
LYS14NZ1311[P], 6[C], 6[O],
LYS14CE814[O], 3[C], 1[P],
LYS14CD511[P], 4[O],
SER15OG511[P], 4[O],
TYR31CZ611[P], 1[C], 4[O],
TYR31CE2513[O], 1[C], 1[P],
TYR31CE1611[P], 1[C], 4[O],
TYR31CD2111[O],
TYR31CD1513[O], 1[C], 1[P],
TYR31CG111[O],
GLU32CG111[C],
ILE34CD11416[O], 1[N], 1[P], 6[C],
ILE34CG21211[P], 5[C], 1[N], 5[O],
ILE34CG11616[O], 8[C], 1[P], 1[N],
ASN37OD1111[O],
ASN37ND21212[O], 8[C], 2[N],
ASN37CG711[N], 4[C], 2[O],
LEU40CD11314[O], 2[N], 7[C],
LEU40CG913[O], 1[N], 5[C],
LEU40CD2913[O], 5[C], 1[N],
PHE43CE21318[C], 2[N], 3[O],
PHE43CD21113[O], 2[N], 6[C],
PHE43CD1812[O], 4[C], 2[N],
PHE43CG1013[O], 2[N], 5[C],
PHE43CE11116[C], 3[N], 2[O],
PHE43CZ1418[C], 3[N], 3[O],
TYR44CD1911[N], 5[C], 3[O],
TYR44CG512[O], 3[C],
TYR44CE11314[O], 7[C], 2[N],
TYR44CD2614[C], 2[O],
TYR44CE21013[O], 2[N], 5[C],
TYR44CZ1312[N], 7[C], 4[O],
LEU54CD11212[O], 3[N], 7[C],
LEU54CD21413[O], 3[N], 8[C],
LEU54CG1112[O], 3[N], 6[C],
GLN55OE11013[N], 6[C], 1[O],
GLN55CG814[C], 3[N], 1[O],
GLN55CD1013[N], 6[C], 1[O],
GLN55NE21112[O], 3[N], 6[C],
PHE58CG1212[O], 3[N], 7[C],
PHE58CE21614[O], 3[N], 9[C],
PHE58CZ1613[N], 9[C], 4[O],
PHE58CE11419[C], 3[N], 2[O],
PHE58CD11217[C], 3[N], 2[O],
PHE58CD21513[O], 3[N], 9[C],
LEU59CD2111[N],
LEU59CG111[N],
ARG62CD211[N], 1[C],
ARG62NE413[C], 1[N],
ARG62CZ813[N], 3[C], 2[O],
ASP78OD2611[P], 1[C], 4[O],
ASP78CG511[P], 4[O],
ASP78OD1611[P], 1[C], 4[O],
ARG79CG1214[O], 4[C], 1[P], 3[N],
ARG79CD1811[P], 3[N], 9[C], 5[O],
ARG79CZ2011[P], 9[C], 3[N], 7[O],
ARG79NE2017[O], 3[N], 1[P], 9[C],
GLU83OE1412[O], 1[P], 1[C],
ASP84OD2513[C], 2[N],
ASP84OD11013[N], 5[C], 2[O],
ASP84CG714[C], 3[N],
LEU87CD11413[O], 3[N], 8[C],
LEU87CG1212[O], 7[C], 3[N],
LEU87CD21413[N], 8[C], 3[O],
LEU90CD2111[O],
ASN91ND2512[C], 2[N], 1[O],
ASN91OD1111[O],
ASN91CG211[N], 1[O],
TYR105CZ111[N],
TYR105CE2111[N],
TYR105CE1111[N],
MET138SD111[O],
MET138CG111[O],
ILE142CG2212[O],
ILE142CD1511[P], 1[C], 3[O],
ILE142CG1513[O], 1[C], 1[P],
ARG147CD911[P], 3[C], 5[O],
ARG147CG512[O], 3[C],
ARG147NE911[P], 3[C], 5[O],
ARG147CZ312[C], 1[O],
GLU150OE11216[O], 5[C], 1[P],
GLU150CD1311[P], 1[N], 5[C], 6[O],
GLU150CG1215[O], 5[C], 1[P], 1[N],
GLU150OE21617[O], 1[N], 1[P], 7[C],
TYR161CE2814[C], 2[N], 2[O],
TYR161CZ912[O], 5[C], 2[N],
TYR161CD2412[O], 2[C],
TYR161CD1111[O],
TYR161CE1411[N], 2[C], 1[O],
TYR162CZ211[C], 1[O],
TYR162CD1312[C], 1[O],
TYR162CE2111[O],
TYR162CE1312[C], 1[O],
LEU165CG312[C], 1[O],
LEU165CD11011[O], 6[C], 3[N],
LEU165CD21311[P], 6[C], 2[N], 4[O],
TYR169CZ111[O],
TYR169CE1111[O],
Total = 104



Download csv file of statistical distribution of contacts