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(1EP3) / Model_4(1EP3/A) = [8.1] Download697.2127.71MTTNRLQVSLPGLDLKNPIIPASGCFGFGQEYAKYYDLNLLGSIMIKATTLEPRFGNPTPRVAETPAGMLNAIGLQNPGLEVVLAEKLPWLEREYPNLPIIANVAGFSKQEYAAVSHGISKATNVKAIELNISCPNVDHCNHGLLIGQDPDLAYDVVKAAVEASEVPVYVKLTPSVTDIVTVAKAAEDAGASGLTMINTLVGMRFDLKTRKPILANGTGGMSGPAVFPVALKLIRQVAQTTDLPIIGMGGVDSTEAALEMYLAGASAIGVGTANFTNPYACPDIIENLPKVMDKYGISSLEELRQEVKESLR
Consensus
[pKd Mean = 8.10]		-697
(s=0)		27
(s=0)		MTTNRLQVSLPGLDLKNPIIPASGCFGFGQEYAKYYDLNLLGSIMIKATTLEPRFGNPTPRVAETPAGMLNAIGLQNPGLEVVLAEKLPWLEREYPNLPIIANVAGFSKQEYAAVSHGISKATNVKAIELNISCPNVDHCNHGLLIGQDPDLAYDVVKAAVEASEVPVYVKLTPSVTDIVTVAKAAEDAGASGLTMINTLVGMRFDLKTRKPILANGTGGMSGPAVFPVALKLIRQVAQTTDLPIIGMGGVDSTEAALEMYLAGASAIGVGTANFTNPYACPDIIENLPKVMDKYGISSLEELRQEVKESLR



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]
SER23OG2014[N], 12[C], 4[O],
CYS25SG2711[P], 7[O], 16[C], 3[N],
MET45CE111[O],
MET45CG312[O], 1[C],
MET45SD613[C], 3[O],
LYS47CE111[O],
LYS47CD311[N], 1[C], 1[O],
LYS47CG511[O], 2[N], 2[C],
VAL62CG1515[C],
VAL62CG2111[C],
MET69SD1016[C], 3[O], 1[P],
MET69CG915[C], 3[O], 1[P],
MET69CE711[O], 6[C],
ASN71OD11612[O], 2[N], 12[C],
ASN71CG1512[N], 12[C], 1[O],
ASN71ND22113[N], 15[C], 3[O],
ILE73CG2917[C], 1[N], 1[O],
ILE73CD1918[C], 1[N],
ILE73CG11219[C], 2[N], 1[O],
LEU75CD2914[C], 3[N], 2[O],
LEU75CD11612[O], 4[N], 10[C],
LEU75CG1317[C], 4[N], 2[O],
ASN77ND2111[O],
ASN103CG1313[O], 6[C], 4[N],
ASN103OD11413[O], 7[C], 4[N],
ASN103ND21614[N], 8[C], 4[O],
GLU129CD1015[C], 2[N], 3[O],
GLU129OE2914[C], 2[N], 3[O],
GLU129OE11413[N], 7[C], 4[O],
GLU129CG512[O], 2[N], 1[C],
ASN131ND21614[N], 9[C], 3[O],
ASN131CG1413[O], 7[C], 4[N],
ASN131OD11213[O], 4[N], 5[C],
SER133OG611[N], 3[C], 2[O],
CYS134SG511[N], 2[C], 2[O],
LYS171NZ2417[O], 1[P], 12[C], 4[N],
LYS171CE2216[O], 12[C], 4[N],
LYS171CG1413[O], 3[N], 8[C],
LYS171CD1815[O], 3[N], 10[C],
PRO174CD111[O],
THR195OG1511[N], 1[C], 3[O],
ILE197CG2211[C], 1[O],
ILE197CG1811[P], 4[O], 3[C],
ILE197CD1613[O], 3[C],
ASN198OD12614[N], 16[C], 6[O],
ASN198ND22115[O], 12[C], 4[N],
ASN198CG2215[O], 13[C], 4[N],
THR199CG22717[O], 1[P], 16[C], 3[N],
THR199OG12013[O], 3[N], 14[C],
SER222OG2211[N], 13[C], 1[P], 7[O],
PRO224CD411[P], 3[O],
PRO224CG311[P], 2[O],
VAL226CG1613[O], 1[P], 2[C],
VAL226CG2915[O], 1[P], 3[C],
PHE227CD1111[O],
MET248CG1515[C], 2[N], 1[P], 7[O],
MET248CE1114[O], 6[C], 1[N],
MET248SD1918[C], 2[N], 1[P], 8[O],
VAL251CG2513[O], 1[P], 1[C],
VAL251CG1111[O],
MET260CE411[C], 3[O],
ILE268CG1111[O],
VAL270CG1511[P], 4[O],
VAL270CG2312[O], 1[P],
THR272CG21317[C], 1[P], 5[O],
THR272OG122113[C], 1[N], 1[P], 7[O],
ASN274ND2311[P], 2[O],
ASN274CG111[O],
PHE275CE1811[O], 7[C],
PHE275CZ1118[C], 1[N], 2[O],
PHE275CE21112[O], 1[P], 8[C],
PHE275CG514[C], 1[O],
PHE275CD2711[O], 6[C],
PHE275CD1414[C],
Total = 74



Download csv file of statistical distribution of contacts