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] Download794.4521.47MNENPLAVKLPGLELKNPIMPASGCFGFGKEYGKYYDLNQLGSIMVKATTPNARFGNPTPRVAETPSGMLNAIGLQNPGLDVVMHKLLPELEEYNELPIIANVAGACEEDYVEVCSKIGEAPNVKAIELNISCPNVKHGGIAFGTDSDVAFQLTQAVKKVSSVPVYVKLSPNVTDIVPIAQAIEAGGADGFTMINTLLGMRIDLKTRKPILANQTGGLSGPAIKPVAIRLIHQVASISSLPIIGMGGVQTVDDVLEMFMAGASAVAIGTANFTDPYICPKLIKELPVRMSELGIESLERLIKEVREERER
Consensus
[pKd Mean = 8.10]		-794
(s=0)		21
(s=0)		MNENPLAVKLPGLELKNPIMPASGCFGFGKEYGKYYDLNQLGSIMVKATTPNARFGNPTPRVAETPSGMLNAIGLQNPGLDVVMHKLLPELEEYNELPIIANVAGACEEDYVEVCSKIGEAPNVKAIELNISCPNVKHGGIAFGTDSDVAFQLTQAVKKVSSVPVYVKLSPNVTDIVPIAQAIEAGGADGFTMINTLLGMRIDLKTRKPILANQTGGLSGPAIKPVAIRLIHQVASISSLPIIGMGGVQTVDDVLEMFMAGASAVAIGTANFTDPYICPKLIKELPVRMSELGIESLERLIKEVREERER



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[O], 12[C], 4[N],
CYS25SG2717[O], 1[P], 3[N], 16[C],
MET45CE111[O],
MET45CG311[C], 2[O],
MET45SD613[C], 3[O],
LYS47CD311[O], 1[N], 1[C],
LYS47CE111[O],
LYS47CG511[O], 2[C], 2[N],
VAL62CG1515[C],
VAL62CG2111[C],
MET69SD1011[P], 3[O], 6[C],
MET69CE716[C], 1[O],
MET69CG915[C], 1[P], 3[O],
ASN71CG1512[N], 12[C], 1[O],
ASN71OD11612[N], 12[C], 2[O],
ASN71ND22113[O], 3[N], 15[C],
ILE73CG11211[O], 9[C], 2[N],
ILE73CD1911[N], 8[C],
ILE73CG2911[N], 7[C], 1[O],
LEU75CG1317[C], 4[N], 2[O],
LEU75CD2912[O], 4[C], 3[N],
LEU75CD116110[C], 4[N], 2[O],
ASN77ND2111[O],
ASN102ND21618[C], 4[N], 4[O],
ASN102OD11413[O], 4[N], 7[C],
ASN102CG1316[C], 4[N], 3[O],
GLU128OE11414[O], 3[N], 7[C],
GLU128OE2914[C], 2[N], 3[O],
GLU128CD1012[N], 5[C], 3[O],
GLU128CG512[O], 1[C], 2[N],
ASN130OD11213[O], 4[N], 5[C],
ASN130ND21613[O], 4[N], 9[C],
ASN130CG1414[N], 7[C], 3[O],
SER132OG612[O], 1[N], 3[C],
CYS133SG512[C], 1[N], 2[O],
LYS168NZ2411[P], 7[O], 12[C], 4[N],
LYS168CG1413[N], 8[C], 3[O],
LYS168CE2216[O], 4[N], 12[C],
LYS168CD1815[O], 10[C], 3[N],
PRO171CD111[O],
THR192OG1513[O], 1[N], 1[C],
ILE194CG1811[P], 4[O], 3[C],
ILE194CD1613[O], 3[C],
ILE194CG2211[O], 1[C],
ASN195CG2215[O], 13[C], 4[N],
ASN195ND22115[O], 12[C], 4[N],
ASN195OD12614[N], 16[C], 6[O],
THR196OG120114[C], 3[N], 3[O],
THR196CG22713[N], 16[C], 7[O], 1[P],
SER219OG2211[N], 13[C], 7[O], 1[P],
PRO221CD413[O], 1[P],
PRO221CG312[O], 1[P],
ILE223CD11215[C], 6[O], 1[P],
ILE223CG2711[P], 4[O], 2[C],
ILE223CG1915[O], 1[P], 3[C],
LYS224CG111[O],
MET245SD1912[N], 8[C], 8[O], 1[P],
MET245CG1512[N], 5[C], 7[O], 1[P],
MET245CE1111[N], 6[C], 4[O],
VAL248CG2511[C], 3[O], 1[P],
VAL248CG1111[O],
MET257CE411[C], 3[O],
VAL265CG1111[O],
ILE267CD1111[O],
ILE267CG1311[P], 2[O],
ILE267CG2514[O], 1[P],
THR269OG12211[N], 13[C], 7[O], 1[P],
THR269CG21315[O], 1[P], 7[C],
ASN271ND2311[P], 2[O],
ASN271CG111[O],
PHE272CG511[O], 4[C],
PHE272CD2716[C], 1[O],
PHE272CE1811[O], 7[C],
PHE272CE21118[C], 1[P], 2[O],
PHE272CZ1118[C], 1[N], 2[O],
PHE272CD1414[C],
Total = 76



Download csv file of statistical distribution of contacts