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 :C3_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 C3_S1
Complex: FMN_B_5(4QIU) / Model_24(4QIU/B) = [9.1] Download843.6132.28MSLLQQLAIKHPIFLAPMAGVSTPELAAEVSNQGGLGSLGLGANTPQSAREQILKTQALTENPFQVNFFCHQSTELNVEKAKQWLEYLRPHFEKFGAQPPQELHCIYPSFLDNDDFLNVVLETKPKTVSFHFGIPHPHQIKALKEAGILTMVSATNLIEAQAIEAAGIDIIIAQGIEAGGHRGIFNQTFDGAIKTSDLVQLIVQHCTLPVVAAGGIMTGLQAKHMLGLGAAAVQLGTAFVQCQTSNASAEYRKALFSKPVTQISASLSGRPARGILNHWHIKIDSPTRPVQPEYPYAYDLAKQLNALATKHQDYGFGAFWAGSNVAQIRELEAPDLVNQLVVEMLDNE
Consensus
[pKd Mean = 9.10]		-843
(s=0)		32
(s=0)		MSLLQQLAIKHPIFLAPMAGVSTPELAAEVSNQGGLGSLGLGANTPQSAREQILKTQALTENPFQVNFFCHQSTELNVEKAKQWLEYLRPHFEKFGAQPPQELHCIYPSFLDNDDFLNVVLETKPKTVSFHFGIPHPHQIKALKEAGILTMVSATNLIEAQAIEAAGIDIIIAQGIEAGGHRGIFNQTFDGAIKTSDLVQLIVQHCTLPVVAAGGIMTGLQAKHMLGLGAAAVQLGTAFVQCQTSNASAEYRKALFSKPVTQISASLSGRPARGILNHWHIKIDSPTRPVQPEYPYAYDLAKQLNALATKHQDYGFGAFWAGSNVAQIRELEAPDLVNQLVVEMLDNE



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]
PRO17CD21112[C], 4[N], 5[O],
PRO17CG2015[O], 4[N], 11[C],
MET18SD26116[C], 6[O], 1[P], 3[N],
MET18CE1812[N], 3[O], 13[C],
MET18CG28117[C], 4[N], 7[O],
VAL21CG21011[N], 9[C],
VAL21CG1918[C], 1[N],
SER22OG815[C], 2[N], 1[O],
SER38OG111[O],
GLN65NE2312[O], 1[C],
GLN65OE1111[O],
GLN65CD212[O],
ASN67OD11514[N], 3[O], 8[C],
ASN67ND21316[C], 3[O], 4[N],
ASN67CG1316[C], 4[N], 3[O],
PHE69CD2712[N], 2[O], 3[C],
PHE69CZ1317[C], 2[O], 4[N],
PHE69CE2913[N], 2[O], 4[C],
PHE69CE11317[C], 4[N], 2[O],
PHE69CD1912[O], 3[N], 4[C],
PHE69CG812[N], 2[O], 4[C],
SER129OG612[N], 2[O], 2[C],
HIS131ND118110[C], 4[N], 4[O],
HIS131CG1719[C], 4[O], 4[N],
HIS131NE219111[C], 4[O], 4[N],
HIS131CE12014[N], 5[O], 11[C],
HIS131CD218110[C], 4[O], 4[N],
PHE132CZ914[C], 2[O], 3[N],
PHE132CD2512[C], 1[O], 2[N],
PHE132CG311[C], 1[O], 1[N],
PHE132CE1712[N], 1[O], 4[C],
PHE132CD1411[C], 2[N], 1[O],
PHE132CE2814[C], 2[O], 2[N],
SER153OG915[C], 1[N], 3[O],
ILE172CG21016[C], 3[O], 1[N],
ILE172CG1413[O], 1[C],
ILE172CD1713[C], 3[O], 1[N],
GLN174CD1711[P], 5[O], 2[N], 9[C],
GLN174NE225114[C], 4[N], 6[O], 1[P],
GLN174CG1617[C], 6[O], 1[P], 2[N],
GLN174OE11417[C], 2[N], 5[O],
GLU177CD111[O],
GLU177CG311[P], 2[O],
GLU177OE1111[O],
HIS181CE1611[O], 1[N], 4[C],
HIS181CD213110[C], 2[N], 1[O],
HIS181CG16111[C], 4[N], 1[O],
HIS181NE2511[N], 4[C],
HIS181ND11116[C], 1[O], 4[N],
THR195OG1411[C], 1[P], 2[O],
ILE216CD1511[C], 3[O], 1[P],
ILE216CG2311[P], 2[O],
ILE216CG1511[C], 3[O], 1[P],
MET217CE413[O], 1[P],
MET217CG413[O], 1[P],
MET217SD511[P], 4[O],
GLN234NE22216[O], 4[N], 12[C],
GLN234CD1813[N], 6[O], 9[C],
GLN234OE11317[C], 2[N], 4[O],
GLN234CG1818[C], 2[N], 7[O], 1[P],
LEU235CD2812[C], 5[O], 1[P],
LEU235CG811[P], 5[O], 2[C],
LEU235CD1211[O], 1[P],
THR237CG21014[C], 5[O], 1[P],
THR237OG118112[C], 5[O], 1[P],
PHE239CE1111[O],
PHE239CD1111[O],
VAL240CG21211[P], 3[O], 8[C],
VAL240CG1414[C],
TYR251CE2515[C],
TYR251CZ616[C],
TYR251CD2212[C],
TYR251CD1111[C],
TYR251CE1414[C],
TYR251CG111[C],
LEU255CD2111[C],
ARG273CG312[O], 1[C],
ARG273CD511[C], 1[P], 3[O],
ARG273NE212[O],
TRP320CZ3111[C],
TRP320CZ2414[C],
TRP320CD2911[N], 8[C],
TRP320CE3616[C],
TRP320CD115112[C], 2[N], 1[O],
TRP320NE114111[C], 1[O], 2[N],
TRP320CG13111[C], 2[N],
TRP320CE2918[C], 1[N],
SER323OG312[O], 1[P],
ASN324OD1211[O], 1[P],
ASN324ND2514[O], 1[P],
ASN324CG514[O], 1[P],
ILE328CD1111[O],
Total = 92



Download csv file of statistical distribution of contacts