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 :C6_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 C6_S1
Complex: 2AM_B_9(5DW8) / Model_26(5DW8/B) = [4.5] Download1088.111.57MEQMIDHIKSWLEEAGEKIKSSQQTLTISQKSNRTDLVTNVDRNIQNFLIEKIHSFDPEAKILAEEEGCNQLSDLDGRVFIIDPIDGTLNFVIEGENFCIMLAVYESGVGKLGFIYDVMRNELFWGGKGIGVYKNDEPLPRPANKSLSEGLLGVNSYLFGHNKYGIREIAESSMGTRMYGCAGLELVAILKGNHIAYISNLSPWDYAAGNVLLEEFGMVTSGLFGTPLTFEKREYYLAGTSCAYAEIADLLKKEG
Complex: IPD_A_7(5J16) / Model_3(5J16/A) = [3.2] Download1050.8812.33MEQMIDHIKSWLEEAGEKIKSSQQTLTISQKSNRTDLVTNVDRNIQNFLIEKIHSFDPEAKILAEEEGCNQLSDLDGRVFIIDPIDGTLNFVIEGENFCIMLAVYESGVGKLGFIYDVMRNELFWGGKGIGVYKNDEPLPRPANKSLSEGLLGVNSYLFGHNKYGIREIAESSMGTRMYGCAGLELVAILKGNHIAYISNLSPWDYAAGNVLLEEFGMVTSGLFGTPLTFEKREYYLAGTSCAYAEIADLLKKEG
Consensus
[pKd Mean = 3.85]		-1069
(s=18)		6
(s=5)		MEQMIDHIKSWLEEAGEKIKSSQQTLTISQKSNRTDLVTNVDRNIQNFLIEKIHSFDPEAKILAEEEGCNQLSDLDGRVFIIDPIDGTLNFVIEGENFCIMLAVYESGVGKLGFIYDVMRNELFWGGKGIGVYKNDEPLPRPANKSLSEGLLGVNSYLFGHNKYGIREIAESSMGTRMYGCAGLELVAILKGNHIAYISNLSPWDYAAGNVLLEEFGMVTSGLFGTPLTFEKREYYLAGTSCAYAEIADLLKKEG



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]
ASP42OD2524[O], 1[P],
ASP42OD1521[P], 4[O],
ASP42CG521[P], 4[O],
GLU65CD1322[C], 2[P], 9[O],
GLU65CG927[O], 2[P],
GLU65OE11523[C], 2[P], 10[O],
GLU65OE21929[O], 6[C], 2[P], 2[N],
GLU66CD321[P], 2[O],
GLU66OE1322[O], 1[P],
GLU66OE2322[O], 1[P],
ASP83CG19211[O], 6[C], 2[P],
ASP83OD119211[O], 6[C], 2[P],
ASP83OD22622[P], 10[C], 2[N], 12[O],
PRO84CD222[O],
PRO84CG222[O],
ILE85CG1323[O],
ILE85CD1222[O],
ILE85CG21028[O], 2[P],
ASP86CG31212[C], 2[P], 1[N], 16[O],
ASP86OD23021[N], 2[P], 11[C], 16[O],
ASP86OD13322[N], 13[C], 2[P], 16[O],
THR88OG12422[N], 2[P], 8[C], 12[O],
THR88CG21228[O], 2[P], 2[C],
LEU89CD124211[C], 2[P], 2[N], 9[O],
LEU89CD2323[O],
LEU89CG1622[P], 7[C], 7[O],
ASN90OD1624[O], 2[C],
ASN90ND2925[O], 4[C],
ASN90CG523[O], 2[C],
CYS99SG421[C], 3[O],
MET101CG222[O],
MET101CE222[O],
MET101SD826[O], 2[C],
ASN155ND2623[C], 3[O],
ASN155CG723[O], 4[C],
ASN155OD1422[C], 2[O],
TYR157CD2121[O],
LEU158CG121[O],
LEU158CD2222[O],
LEU158CD1121[O],
MET178CG222[O],
MET178SD322[O], 1[C],
CYS181SG2028[C], 2[P], 10[O],
GLU185OE11326[O], 7[C],
GLU185OE2422[O], 2[C],
GLU185CG422[C], 2[O],
GLU185CD925[C], 4[O],
TYR197CE2923[C], 6[O],
TYR197CZ1528[C], 7[O],
TYR197CE11126[O], 5[C],
SER199OG1528[C], 1[N], 6[O],
ASN200CG1126[C], 3[N], 2[O],
ASN200OD1924[C], 3[N], 2[O],
ASN200ND2923[N], 4[C], 2[O],
LEU201CD132216[C], 1[P], 5[N], 10[O],
LEU201CD222213[C], 2[N], 7[O],
LEU201CG2923[N], 16[C], 10[O],
SER202OG2121[P], 9[C], 3[N], 8[O],
PRO203CD121[C],
TRP204CD2121[O],
TRP204CE2725[O], 1[C], 1[N],
TRP204NE11823[N], 2[P], 6[C], 7[O],
TRP204CG424[O],
TRP204CZ2322[N], 1[C],
TRP204CD11728[O], 1[N], 2[P], 6[C],
ASP205OD23822[P], 16[C], 4[N], 16[O],
ASP205OD139216[O], 2[P], 16[C], 5[N],
ASP205CG38216[O], 4[N], 16[C], 2[P],
TYR206CE11124[O], 1[N], 6[C],
TYR206CD1423[O], 1[C],
TYR206CZ824[O], 3[C], 1[N],
ARG233CZ623[C], 3[N],
ARG233CD723[N], 4[C],
ARG233NE522[C], 3[N],
ARG233CG523[C], 2[N],
Total = 75



Download csv file of statistical distribution of contacts