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: ATP_J_5(4YMU) / Model_7(4YMU/J) = [5.2] Download1440.738.18MSRDIIKLDQIDVTFHQKKRTITAVKDVTIHIQEGDIYGIVGYSGAGKSTLVRVINLLQKPSAGKITIDDDVIFDGKVTLTAEQLRRKRQDIGMIFQHFNLMSQKTAEENVAFALKHSGLSKEEKKAKVAKLLDLVGLADRAENYPSQLSGGQKQRVAIARALANDPKILISDESTSALDPKTTKQILALLQDLNQKLGLTVVLITHEMQIVKDIANRVAVMQDGHLIEEGSVLEIFSNPKQPLTQDFISTATGIDEAMVKIEKQEIVEHLSENSLLVQLKYAGASTDEPLLNELYKHYQVMANILYGNIEILDGTPVGELVVVLSGEKAALAGAQEAIRQAGVQLKVLKGVQ
Consensus
[pKd Mean = 5.20]		-1440
(s=0)		8
(s=0)		MSRDIIKLDQIDVTFHQKKRTITAVKDVTIHIQEGDIYGIVGYSGAGKSTLVRVINLLQKPSAGKITIDDDVIFDGKVTLTAEQLRRKRQDIGMIFQHFNLMSQKTAEENVAFALKHSGLSKEEKKAKVAKLLDLVGLADRAENYPSQLSGGQKQRVAIARALANDPKILISDESTSALDPKTTKQILALLQDLNQKLGLTVVLITHEMQIVKDIANRVAVMQDGHLIEEGSVLEIFSNPKQPLTQDFISTATGIDEAMVKIEKQEIVEHLSENSLLVQLKYAGASTDEPLLNELYKHYQVMANILYGNIEILDGTPVGELVVVLSGEKAALAGAQEAIRQAGVQLKVLKGVQ



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]
ILE22CG11116[C], 2[N], 3[O],
ILE22CD11519[C], 3[N], 3[O],
ILE22CG21512[N], 9[C], 4[O],
VAL25CG2211[C], 1[O],
ILE40CG2212[O],
TYR43CE1111[O],
TYR43CE2212[O],
TYR43CD2514[O], 1[P],
TYR43CD1212[O],
TYR43CG511[P], 4[O],
TYR43CZ111[O],
SER44OG1814[C], 3[P], 11[O],
LYS48NZ1313[P], 10[O],
LYS48CE1219[O], 3[P],
LYS48CD1213[P], 9[O],
LYS48CG13110[O], 3[P],
SER49OG15110[O], 2[C], 3[P],
THR50OG127110[O], 10[C], 2[P], 5[N],
THR50CG21815[O], 8[C], 1[P], 4[N],
VAL52CG2212[O],
ARG53CD912[N], 1[P], 2[C], 4[O],
ARG53CZ513[C], 2[N],
ARG53NE712[O], 3[C], 2[N],
ARG53CG311[N], 2[O],
GLN59CG911[O], 4[C], 4[N],
GLN59NE21015[N], 5[C],
GLN59CD1111[O], 5[C], 5[N],
GLN59OE11211[O], 5[N], 6[C],
GLN97CG111[O],
GLN97OE1716[O], 1[P],
GLN97CD411[P], 3[O],
GLN97NE2312[O], 1[P],
ASP173OD21013[P], 7[O],
ASP173CG511[P], 4[O],
ASP173OD1511[P], 4[O],
GLU174CD1213[P], 9[O],
GLU174CG917[O], 2[P],
GLU174OE21313[P], 10[O],
GLU174OE11313[P], 10[O],
SER177OG312[O], 1[P],
ILE205CD11012[P], 8[O],
ILE205CG21213[P], 9[O],
ILE205CG1413[O], 1[P],
HIS207ND1615[O], 1[P],
HIS207CE1812[P], 6[O],
HIS207CG514[O], 1[P],
HIS207NE2912[P], 7[O],
HIS207CD2816[O], 2[P],
MET222CE411[P], 3[O],
MET222SD411[P], 3[O],
MET222CG111[O],
PHE248CE2111[O],
Total = 52



Download csv file of statistical distribution of contacts