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: FMN_A_3(2OYS) / Model_2(2OYS/A) = [9.3] Download954.0130.82MNKIFIYAGVRNHNSKTLEYTKRLSSIISSRNNVDISFRTPFNSELEISNSDSEELFKKGIDRQSNADDGGVIKKELLESDIIIISSPVYLQNVSVDTKNFIERIGGWSHLFRLAGKFVVTLDVAESNGSDNVSEYLRDIFSYMGGQILHQVSITNSLKDIAEAQLMEATYKIEDVLEGKIKYKTTDYQERAYQTLKLILENYDSEHFEKMYWEKKRLFEANSLEEWYYVENIK
Consensus
[pKd Mean = 9.30]		-954
(s=0)		30
(s=0)		MNKIFIYAGVRNHNSKTLEYTKRLSSIISSRNNVDISFRTPFNSELEISNSDSEELFKKGIDRQSNADDGGVIKKELLESDIIIISSPVYLQNVSVDTKNFIERIGGWSHLFRLAGKFVVTLDVAESNGSDNVSEYLRDIFSYMGGQILHQVSITNSLKDIAEAQLMEATYKIEDVLEGKIKYKTTDYQERAYQTLKLILENYDSEHFEKMYWEKKRLFEANSLEEWYYVENIK



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]
VAL10CG1511[P], 4[O],
VAL10CG2611[P], 4[O], 1[C],
ASN12OD1611[P], 1[C], 4[O],
ASN12ND21411[P], 7[C], 6[O],
ASN12CG1011[P], 6[O], 3[C],
SER15OG1011[P], 6[O], 3[C],
LYS16CG1211[P], 7[O], 4[C],
LYS16NZ1016[O], 3[C], 1[P],
LYS16CD1013[C], 6[O], 1[P],
LYS16CE1016[O], 3[C], 1[P],
THR17CG2812[C], 5[O], 1[P],
THR17OG11211[P], 7[O], 4[C],
LEU18CG111[O],
GLU19OE2111[O],
TYR20CG111[O],
TYR20CE2512[C], 3[O],
TYR20CZ111[O],
TYR20CD2612[C], 3[O], 1[P],
PRO88CG1311[P], 7[O], 5[C],
PRO88CD1013[C], 6[O], 1[P],
VAL89CG21814[N], 10[C], 4[O],
VAL89CG120113[C], 4[N], 3[O],
TYR90CE22911[P], 3[N], 17[C], 8[O],
TYR90CD12211[P], 4[O], 15[C], 2[N],
TYR90CZ2512[N], 15[C], 7[O], 1[P],
TYR90CD23011[P], 8[O], 17[C], 4[N],
TYR90CE12211[P], 2[N], 13[C], 6[O],
TYR90CG2811[P], 4[N], 16[C], 7[O],
LEU91CG15111[C], 3[N], 1[O],
LEU91CD21011[O], 8[C], 1[N],
LEU91CD11411[O], 11[C], 2[N],
GLN92CG912[O], 4[C], 3[N],
GLN92NE21312[O], 4[N], 7[C],
GLN92OE11016[C], 3[N], 1[O],
GLN92CD1116[C], 3[N], 2[O],
VAL124CG11411[P], 5[C], 1[N], 7[O],
VAL124CG2911[P], 3[C], 5[O],
GLU126CD1514[O], 3[N], 8[C],
GLU126OE119110[C], 3[N], 6[O],
GLU126OE21214[O], 2[N], 6[C],
GLU126CG1814[N], 10[C], 4[O],
SER127OG912[O], 2[N], 5[C],
ASN128OD11215[C], 4[N], 3[O],
ASN128CG1012[O], 4[N], 4[C],
ASN128ND21213[O], 5[C], 4[N],
SER130OG612[N], 2[C], 2[O],
VAL133CG2311[C], 1[N], 1[O],
ILE154CG2111[O],
THR155CG2211[O], 1[C],
THR155OG1111[O],
ASN156CG412[C], 2[O],
ASN156OD1211[C], 1[O],
SER157OG111[O],
Total = 53



Download csv file of statistical distribution of contacts