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_E_5(2FGJ) / Model_99(2FGJ/A) = [4.9] Download666.669.80MIEMKDVMKKYSNGTTAIRNLSIVIEQGEFVYVVGPSGAGKSTFIKLMYREEKASKGTLNVAGHDLIAIKNREVPYLRREIGVVFQDYKLLPRKTVYENVAYAMQVIGRKPRDIKKRVMEVLDLVGLKHKVRVFPSELSGGEQQRVSIARAIVNTPKVLIADEPTGNLDPENSWEIMKLLDRINAQGTTVVMATHNSTIVNTIRHRVIAIENGRIIRDQAEGEYGYDD
Consensus
[pKd Mean = 4.90]		-666
(s=0)		9
(s=0)		MIEMKDVMKKYSNGTTAIRNLSIVIEQGEFVYVVGPSGAGKSTFIKLMYREEKASKGTLNVAGHDLIAIKNREVPYLRREIGVVFQDYKLLPRKTVYENVAYAMQVIGRKPRDIKKRVMEVLDLVGLKHKVRVFPSELSGGEQQRVSIARAIVNTPKVLIADEPTGNLDPENSWEIMKLLDRINAQGTTVVMATHNSTIVNTIRHRVIAIENGRIIRDQAEGEYGYDD



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]
VAL33CG1312[O], 1[P],
PRO36CD212[O],
PRO36CG111[O],
SER37OG1512[C], 10[O], 3[P],
LYS41CE1219[O], 3[P],
LYS41CG1413[P], 10[O], 1[C],
LYS41NZ14110[O], 1[C], 3[P],
LYS41CD1118[O], 3[P],
SER42OG1612[C], 10[O], 3[P], 1[N],
THR43CG21811[P], 3[N], 9[C], 5[O],
THR43OG12712[P], 5[N], 10[C], 10[O],
ILE45CG1212[O],
LYS46NZ2312[P], 5[N], 10[C], 6[O],
LYS46CG512[O], 1[C], 1[N], 1[P],
LYS46CD1114[C], 3[O], 1[P], 3[N],
LYS46CE1711[P], 4[N], 6[C], 6[O],
GLU52CD915[C], 4[N],
GLU52CG211[C], 1[N],
GLU52OE1915[C], 4[N],
GLU52OE21015[N], 5[C],
GLN86NE2411[P], 3[O],
GLN86CD111[O],
ASP162CG614[O], 2[P],
ASP162OD1912[P], 7[O],
ASP162OD21017[O], 3[P],
GLU163CG715[O], 2[P],
GLU163CD712[P], 5[O],
GLU163OE1311[P], 2[O],
GLU163OE2816[O], 2[P],
MET192CG611[P], 5[O],
MET192SD1113[P], 8[O],
MET192CE411[P], 3[O],
THR194OG1111[O],
THR194CG2615[O], 1[P],
ILE210CG1211[P], 1[O],
ILE210CD1614[O], 2[P],
ILE210CG2611[P], 1[C], 4[O],
ASN212OD1111[O],
Total = 38



Download csv file of statistical distribution of contacts