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_D_8(2HPV) / Model_46(2HPV/D) = [8.3] Download1145.949.95MLVIVITIIAIKGEGKHMASVLVVKGHPLTAEESRTVKALTSFLTSYKENHPDDEVTVLELYRDDIPEIDEELLSGWEALRAGAEFTSLSESQQQKIARFNELTDQFLAADKIVIANALWNLNIPTKLKAWFDTVNVAGKTFRYTENGPEGLVTGKKALHIQSNGGVYNGQDFASQYVKGILNFVGIDQVDQLFIEGIDYDPDRADELMQNALDKAAALGKSF
Consensus
[pKd Mean = 8.30]		-1145
(s=0)		9
(s=0)		MLVIVITIIAIKGEGKHMASVLVVKGHPLTAEESRTVKALTSFLTSYKENHPDDEVTVLELYRDDIPEIDEELLSGWEALRAGAEFTSLSESQQQKIARFNELTDQFLAADKIVIANALWNLNIPTKLKAWFDTVNVAGKTFRYTENGPEGLVTGKKALHIQSNGGVYNGQDFASQYVKGILNFVGIDQVDQLFIEGIDYDPDRADELMQNALDKAAALGKSF



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]
HIS27CE1714[O], 2[C], 1[P],
HIS27CG614[O], 1[C], 1[P],
HIS27NE21115[C], 1[P], 5[O],
HIS27ND1611[P], 1[C], 4[O],
HIS27CD2815[O], 2[C], 1[P],
PRO28CG111[O],
PRO28CD212[O],
LEU29CD2111[O],
LEU29CG411[P], 3[O],
LEU29CD1411[P], 3[O],
SER34OG815[O], 2[C], 1[P],
ARG35CD1211[P], 4[C], 7[O],
ARG35CG1013[C], 1[P], 6[O],
ARG35CZ1317[O], 1[P], 5[C],
ARG35NE1116[O], 4[C], 1[P],
THR36OG11011[P], 3[C], 6[O],
THR36CG2511[P], 4[O],
VAL37CG1111[O],
VAL37CG2411[P], 3[O],
LEU119CG1913[O], 12[C], 4[N],
LEU119CD21714[N], 10[C], 3[O],
LEU119CD11614[N], 9[C], 3[O],
TRP120CD21913[O], 13[C], 1[P], 2[N],
TRP120NE12717[O], 16[C], 1[P], 3[N],
TRP120CE31011[O], 8[C], 1[N],
TRP120CD12917[O], 4[N], 17[C], 1[P],
TRP120CZ3716[C], 1[O],
TRP120CG2414[O], 1[P], 16[C], 3[N],
TRP120CE22416[O], 2[N], 15[C], 1[P],
TRP120CZ21615[O], 1[P], 10[C],
ASN121CG1614[N], 11[C], 1[O],
ASN121OD11714[N], 12[C], 1[O],
ASN121ND21411[O], 2[N], 11[C],
LEU122CG1015[C], 3[N], 2[O],
LEU122CD2913[N], 4[C], 2[O],
LEU122CD1912[O], 2[N], 5[C],
ILE161CG2111[O],
GLN162NE2311[C], 2[O],
GLN162CG413[O], 1[C],
GLN162CD111[O],
SER163OG1317[O], 1[P], 5[C],
ASN164ND2713[O], 2[C], 2[N],
ASN164OD11719[C], 3[N], 5[O],
ASN164CG1713[N], 9[C], 5[O],
TYR168CZ1114[N], 4[C], 3[O],
TYR168CD2912[N], 4[C], 3[O],
TYR168CG612[C], 2[N], 2[O],
TYR168CE1812[N], 4[C], 2[O],
TYR168CD1612[O], 2[C], 2[N],
TYR168CE21213[O], 4[N], 5[C],
ASP172CG111[O],
ILE195CD1411[P], 3[O],
ILE195CG1313[O],
ILE195CG2711[P], 2[C], 4[O],
GLU196OE1111[O],
GLU196CD111[O],
GLU196CG111[O],
ILE198CG2212[O],
ILE198CG1311[C], 2[O],
ILE198CD1512[C], 3[O],
ASP199OD22714[N], 1[P], 16[C], 6[O],
ASP199CG1912[N], 11[C], 6[O],
ASP199OD11612[N], 1[P], 8[C], 5[O],
Total = 63



Download csv file of statistical distribution of contacts