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 :C3_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 C3_S1
Complex: FAD_A_5(1EFP) / Model_22(1EFP/A) = [12.4] Download435.5715.84MSILVIADHNNQTLNGATLNVVAAAQKIGGDITVLVAGSGAQAVADAAAKVAGVSKVLLADNAAYANQLAENVAGLVADLAKGYKYVLAASTTTGKNILPRVAALLDVSMITDIISVESANTFKRPIYAGNAIATVQSDEAIIVGTVRGTAFDPVAAEGGSAAVETVGEVKDAGVSKFVSEEIVKLDRPELTAARIVVSGGRGVGSGENYHKVLDPLADKLGAAQGASRAAVDAGFVPNDFQVGQTGKIVAPELYIAVGISGAIQHLAGMKDSKVIVAINKDEEAPINSVADYWLVGDLNAVVPELVSKL
Consensus
[pKd Mean = 12.40]		-435
(s=0)		15
(s=0)		MSILVIADHNNQTLNGATLNVVAAAQKIGGDITVLVAGSGAQAVADAAAKVAGVSKVLLADNAAYANQLAENVAGLVADLAKGYKYVLAASTTTGKNILPRVAALLDVSMITDIISVESANTFKRPIYAGNAIATVQSDEAIIVGTVRGTAFDPVAAEGGSAAVETVGEVKDAGVSKFVSEEIVKLDRPELTAARIVVSGGRGVGSGENYHKVLDPLADKLGAAQGASRAAVDAGFVPNDFQVGQTGKIVAPELYIAVGISGAIQHLAGMKDSKVIVAINKDEEAPINSVADYWLVGDLNAVVPELVSKL



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]
ARG202CG1912[N], 7[C], 8[O], 2[P],
ARG202CZ1615[C], 9[O], 2[P],
ARG202NE1819[O], 2[P], 7[C],
ARG202CD1518[O], 2[P], 5[C],
VAL204CG2714[C], 2[N], 1[O],
SER228OG2419[C], 3[N], 10[O], 2[P],
ARG229CZ2112[O], 16[C], 3[N],
ARG229NE26117[C], 4[N], 5[O],
ARG229CD2716[O], 4[N], 17[C],
ARG229CG28116[C], 4[N], 7[O], 1[P],
VAL232CG1311[C], 1[N], 1[O],
VAL232CG2411[O], 2[N], 1[C],
ASP233OD2811[O], 2[N], 5[C],
ASP233CG111[C],
PHE236CE2111[O],
PHE236CD2111[O],
ASN239ND2411[O], 2[C], 1[N],
GLN242CD1814[N], 11[C], 3[O],
GLN242OE11412[O], 4[N], 8[C],
GLN242CG1413[O], 7[C], 4[N],
GLN242NE22514[N], 15[C], 6[O],
VAL243CG1512[C], 1[N], 2[O],
VAL243CG2412[O], 1[N], 1[C],
GLN245NE2811[O], 6[C], 1[N],
GLN245CD14111[C], 2[N], 1[O],
GLN245OE11914[N], 13[C], 2[O],
GLN245CG1411[O], 3[N], 10[C],
THR246CG21614[N], 11[C], 1[O],
THR246OG12114[N], 14[C], 3[O],
ILE249CG1111[O],
VAL258CG2911[O], 4[C], 4[N],
ILE260CG11812[P], 10[O], 6[C],
ILE260CD11217[O], 1[P], 4[C],
ILE260CG22118[C], 1[N], 2[P], 10[O],
SER261OG2419[C], 13[O], 2[P],
ILE264CG2111[O],
ILE264CG1111[O],
GLN265CD2414[O], 16[C], 4[N],
GLN265OE12615[O], 17[C], 4[N],
GLN265CG25116[C], 4[N], 5[O],
GLN265NE21913[N], 14[C], 2[O],
HIS266CG2111[P], 7[O], 4[N], 9[C],
HIS266ND12011[P], 6[O], 9[C], 4[N],
HIS266CD21516[C], 2[N], 1[P], 6[O],
HIS266NE21211[P], 6[O], 2[N], 3[C],
HIS266CE11516[C], 2[N], 6[O], 1[P],
ILE279CG1714[C], 3[N],
ILE279CD1613[C], 3[N],
ILE279CG2311[C], 2[N],
ASN280OD120110[C], 5[N], 4[O], 1[P],
ASN280CG2115[O], 1[P], 10[C], 5[N],
ASN280ND22418[O], 2[P], 10[C], 4[N],
LYS281CG1713[O], 9[C], 5[N],
LYS281NZ1311[O], 5[N], 7[C],
LYS281CE1311[O], 5[N], 7[C],
LYS281CD1713[O], 9[C], 5[N],
ASP282OD21014[O], 1[N], 5[C],
ASP282CG913[O], 2[N], 4[C],
ASP282OD1512[O], 3[C],
PRO286CG212[O],
PRO286CD411[C], 3[O],
ILE287CG2513[C], 2[O],
ASN288ND2111[O],
VAL296CG1111[C],
ASP298CG1015[N], 5[C],
ASP298OD2814[N], 4[C],
ASP298OD11015[N], 5[C],
LEU299CD11015[C], 5[N],
LEU299CD21515[N], 9[C], 1[O],
LEU299CG1216[C], 5[N], 1[O],
ASN300CG613[C], 3[N],
ASN300OD1713[N], 4[C],
ASN300ND2714[C], 3[N],
VAL302CG2211[N], 1[C],
VAL303CG2211[C], 1[N],
Total = 75



Download csv file of statistical distribution of contacts