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(5LJI) / Model_2(5LJI/A) = [10.9] Download883.7813.90MALAKIVYASMTGNTEEIADIVAEAFENLDIEVEINECTQVDADEFEEADICVVATYTYDDGDLPDEIVDFYEDLQELDLLGKIYGVCGSGDTFYDEFCKSVDDFDAAFAKTGASKGAENVKVDLNAEEEDIENLEAFAKELVAKI
Consensus
[pKd Mean = 10.90]		-883
(s=0)		13
(s=0)		MALAKIVYASMTGNTEEIADIVAEAFENLDIEVEINECTQVDADEFEEADICVVATYTYDDGDLPDEIVDFYEDLQELDLLGKIYGVCGSGDTFYDEFCKSVDDFDAAFAKTGASKGAENVKVDLNAEEEDIENLEAFAKELVAKI



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]
TYR8CD1111[O],
SER10OG815[O], 1[P], 2[C],
MET11SD713[C], 1[P], 3[O],
MET11CG712[C], 1[P], 4[O],
MET11CE311[O], 1[P], 1[C],
THR12CG21216[O], 1[P], 5[C],
THR12OG11311[P], 7[O], 5[C],
ASN14CG1214[C], 1[P], 7[O],
ASN14OD11011[P], 6[O], 3[C],
ASN14ND21317[O], 1[P], 5[C],
THR15CG2815[O], 1[P], 2[C],
THR15OG11217[O], 1[P], 4[C],
GLU16OE1111[O],
GLU16CG111[O],
ILE18CG1111[O],
TYR57CE22411[P], 7[O], 2[N], 14[C],
TYR57CZ1216[O], 1[P], 5[C],
TYR57CD22713[N], 16[C], 7[O], 1[P],
TYR57CE11116[O], 1[P], 4[C],
TYR57CD11317[O], 1[P], 5[C],
TYR57CG2011[P], 7[O], 2[N], 10[C],
THR58CG217110[C], 4[N], 3[O],
THR58OG11913[O], 12[C], 4[N],
TYR59CD21511[O], 12[C], 2[N],
TYR59CE21311[O], 10[C], 2[N],
TYR59CZ1712[O], 13[C], 2[N],
TYR59CD12715[O], 1[P], 17[C], 4[N],
TYR59CG2515[O], 16[C], 4[N],
TYR59CE123116[C], 3[N], 4[O],
ASP60OD2511[N], 4[C],
ASP60OD1911[O], 1[N], 7[C],
ASP60CG1011[N], 8[C], 1[O],
ASP61CG111[O],
ASP61OD1111[O],
ASP63OD2311[N], 1[C], 1[O],
ASP63OD1914[C], 3[N], 2[O],
ASP63CG612[N], 3[C], 1[O],
PRO65CD111[O],
PRO65CG611[C], 1[P], 4[O],
GLU67CD111[O],
GLU67OE2312[O], 1[P],
SER90OG1812[N], 7[C], 8[O], 1[P],
ASP92CG22114[C], 4[N], 4[O],
ASP92OD22414[O], 16[C], 4[N],
ASP92OD11814[O], 11[C], 3[N],
THR93OG1111[O],
PHE94CG612[N], 4[C],
PHE94CE2413[C], 1[N],
PHE94CD21313[N], 10[C],
TYR95CD123115[C], 4[N], 4[O],
TYR95CG2013[O], 13[C], 4[N],
TYR95CE22113[O], 4[N], 14[C],
TYR95CD21914[N], 13[C], 2[O],
TYR95CE12414[O], 16[C], 4[N],
TYR95CZ2314[O], 15[C], 4[N],
ASP96OD2111[O],
ASP96CG111[O],
ASP96OD1111[O],
GLU97CG712[N], 3[C], 2[O],
GLU97OE1914[C], 3[N], 2[O],
GLU97CD712[O], 3[C], 2[N],
GLU97OE2511[O], 2[N], 2[C],
PHE98CD2411[O], 1[C], 2[N],
PHE98CZ411[C], 2[N], 1[O],
PHE98CE1915[C], 2[N], 2[O],
PHE98CD11113[O], 5[C], 3[N],
PHE98CG611[O], 2[N], 3[C],
PHE98CE2211[O], 1[C],
CYS99SG1212[N], 7[C], 3[O],
LYS100CE111[O],
LYS100CD211[N], 1[O],
LYS100CG511[N], 2[C], 2[O],
SER101OG512[O], 1[C], 2[N],
LYS122CD111[O],
VAL123CG1111[O],
ASP124CG111[O],
ASP124OD1813[O], 1[N], 4[C],
LEU125CD1712[O], 4[C], 1[N],
LEU125CG1517[C], 2[N], 6[O],
LEU125CD22016[O], 1[P], 11[C], 2[N],
ASN126OD1212[O],
ASN126CG111[O],
Total = 82



Download csv file of statistical distribution of contacts