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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: EDO_B_24(5DCL) / Model_21(5DCL/B) = [3.5] Download335.79-1.30MEGFFMAKIMVVEDEEIIRQLIMEELEKWQFETFGTTDFNQVFSDFEREEPQLVLLDINLPVLDGYYWCQKIREVSKVPIIFISSRNTNMDMIMAMNMGADDFVTKHFQIDVLIAKINALLRRSYNYTELSSEMMSHNGITLNVDNGSMEINGEIIDLSKNEYRLLFILMKHNGKILSREKLLRALWDDERFVDDNTLTVNINRLRRKIEQAGIQGYIETKVGQGYIVP
Consensus
[pKd Mean = 3.50]		-335
(s=0)		-1
(s=0)		MEGFFMAKIMVVEDEEIIRQLIMEELEKWQFETFGTTDFNQVFSDFEREEPQLVLLDINLPVLDGYYWCQKIREVSKVPIIFISSRNTNMDMIMAMNMGADDFVTKHFQIDVLIAKINALLRRSYNYTELSSEMMSHNGITLNVDNGSMEINGEIIDLSKNEYRLLFILMKHNGKILSREKLLRALWDDERFVDDNTLTVNINRLRRKIEQAGIQGYIETKVGQGYIVP



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]
GLU13CG412[C], 2[O],
GLU13OE1412[C], 2[O],
GLU13CD412[C], 2[O],
GLU13OE2412[C], 2[O],
ASP14CG412[O], 2[C],
ASP14OD2412[C], 2[O],
ASP14OD1412[C], 2[O],
GLU15OE2312[C], 1[O],
GLU15CD412[C], 2[O],
GLU15CG412[O], 2[C],
GLU15OE1412[O], 2[C],
ILE18CG2211[C], 1[O],
ILE18CD1412[C], 2[O],
ILE18CG1211[C], 1[O],
ASP57OD1412[C], 2[O],
ASP57OD2412[C], 2[O],
ASP57CG412[C], 2[O],
ASN59ND2412[O], 2[C],
ASN59CG412[O], 2[C],
ASN59OD1312[O], 1[C],
LEU60CG412[O], 2[C],
LEU60CD2412[O], 2[C],
LEU60CD1412[O], 2[C],
PRO61CD412[C], 2[O],
PRO61CG412[O], 2[C],
ILE83CG2111[O],
ILE83CD1111[O],
SER85OG412[O], 2[C],
LYS106CD412[O], 2[C],
LYS106NZ412[O], 2[C],
LYS106CG311[C], 2[O],
LYS106CE412[O], 2[C],
Total = 32



Download csv file of statistical distribution of contacts