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: FAD_B_2(1M6I) / Model_10(1M6I/A) = [14.0] Download483.491.69MFRCGGLAAGALKQKLVPLVRTVCVRSPRQRNRLPGNLFQRWHVPLELQMTRQMASSGASGGKIDNSVLVLIVGLSTVGAGAYAYKTMKEDEKRYNERISGLGLTPEQKQKKAALSASEGEEVPQDKAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKELWFSDDPNVTKTLRFKQWNGKERSIYFQPPSFYVSAQDLPHIENGGVAVLTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAKATAQDNPKSATEQSGTGIRSESETESEASEITIPPSTPAVPQAPVQGEDYGKGVIFYLRDKVVVGIVLWNIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHED
Consensus
[pKd Mean = 14.00]		-483
(s=0)		1
(s=0)		MFRCGGLAAGALKQKLVPLVRTVCVRSPRQRNRLPGNLFQRWHVPLELQMTRQMASSGASGGKIDNSVLVLIVGLSTVGAGAYAYKTMKEDEKRYNERISGLGLTPEQKQKKAALSASEGEEVPQDKAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKELWFSDDPNVTKTLRFKQWNGKERSIYFQPPSFYVSAQDLPHIENGGVAVLTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQARSNIWVAGDAACFYDIKLGRRRVEHHDHAVVSGRLAGENMTGAAKPYWHQSMFWSDLGPDVGYEAIGLVDSSLPTVGVFAKATAQDNPKSATEQSGTGIRSESETESEASEITIPPSTPAVPQAPVQGEDYGKGVIFYLRDKVVVGIVLWNIFNRMPIARKIIKDGEQHEDLNEVAKLFNIHED



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]
ILE137CG1714[C], 3[N],
ILE137CG21317[C], 5[N], 1[O],
ILE137CD1613[N], 3[C],
THR141OG11911[N], 6[C], 2[P], 10[O],
THR141CG21418[O], 4[C], 2[P],
ILE161CG2611[N], 3[C], 2[O],
VAL162CG1814[N], 4[C],
VAL162CG2311[C], 2[N],
SER163OG1713[N], 10[C], 4[O],
GLU164OE220110[C], 5[N], 5[O],
GLU164CD1815[N], 10[C], 3[O],
GLU164OE11713[O], 5[N], 9[C],
GLU164CG18110[C], 5[N], 3[O],
ASP165OD21916[O], 9[C], 1[P], 3[N],
ASP165OD11614[O], 9[C], 3[N],
ASP165CG1614[O], 3[N], 9[C],
PRO166CD212[O],
PRO169CG111[O],
TYR170CE1614[O], 1[C], 1[P],
TYR170CE2411[C], 3[O],
TYR170CG212[O],
TYR170CD2312[O], 1[C],
TYR170CD1313[O],
TYR170CZ511[C], 1[P], 3[O],
MET171CG111[O],
ARG172CZ30112[O], 2[P], 16[C],
ARG172CD34111[O], 2[P], 18[C], 3[N],
ARG172CG2913[N], 15[C], 2[P], 9[O],
ARG172NE3312[P], 17[C], 1[N], 13[O],
PRO173CD2615[O], 17[C], 4[N],
PRO173CG2514[N], 16[C], 5[O],
PRO174CG211[C], 1[N],
PRO174CD1312[O], 10[C], 1[N],
LEU175CD2515[C],
LEU175CD1911[O], 8[C],
LEU175CG818[C],
SER176OG15111[C], 3[N], 1[O],
LYS177CD1017[C], 2[N], 1[O],
LYS177CE1514[N], 9[C], 2[O],
LYS177NZ1914[N], 12[C], 3[O],
LYS177CG911[O], 2[N], 6[C],
GLU178OE1111[O],
TRP180NE1111[C],
PHE205CE1414[O],
PHE205CZ615[O], 1[C],
LYS232NZ1015[C], 5[N],
LYS232CE1015[N], 5[C],
LYS232CG1211[O], 6[C], 5[N],
LYS232CD1211[O], 6[C], 5[N],
VAL233CG2915[N], 4[C],
VAL233CG1713[N], 4[C],
VAL234CG2111[N],
VAL234CG1311[C], 2[N],
LEU245CD2412[N], 2[C],
LEU245CG111[N],
ASN246OD1211[N], 1[C],
ILE258CG2513[C], 2[N],
THR260OG11914[O], 5[N], 10[C],
THR260CG21813[O], 5[N], 10[C],
THR263OG1512[N], 2[C], 1[O],
PRO264CD111[C],
PRO264CG111[C],
PHE284CE2212[C],
PHE284CE1717[C],
PHE284CD2313[C],
PHE284CZ515[C],
PHE284CG515[C],
PHE284CD1818[C],
ARG285CG1917[O], 1[P], 11[C],
ARG285CZ28110[O], 1[N], 15[C], 2[P],
ARG285NE28111[O], 2[P], 15[C],
ARG285CD1817[O], 10[C], 1[P],
LYS286CD915[C], 4[O],
LYS286CE1516[O], 1[N], 1[P], 7[C],
LYS286NZ1715[O], 3[N], 1[P], 8[C],
LYS286CG1014[C], 1[P], 5[O],
ASP289OD2212[C],
PHE310CG211[C], 1[O],
LEU311CG1112[N], 9[C],
LEU311CD11412[N], 11[C], 1[O],
LEU311CD212110[C], 2[N],
GLU314CD1411[O], 10[C], 3[N],
GLU314CG711[N], 5[C], 1[O],
GLU314OE21411[O], 9[C], 4[N],
GLU314OE116111[C], 4[N], 1[O],
LEU315CD1212[C],
LEU315CD2313[C],
LEU315CG313[C],
LEU400CD21518[C], 1[P], 6[O],
LEU400CG311[C], 2[O],
ASN403ND22014[N], 9[C], 1[P], 6[O],
ASN403OD11011[O], 3[N], 6[C],
ASN403CG1614[O], 9[C], 3[N],
GLU405CG111[N],
LEU406CG815[C], 3[N],
LEU406CD2513[N], 2[C],
LEU406CD11015[N], 5[C],
ASP438OD122110[O], 2[P], 8[C], 2[N],
ASP438CG2218[C], 2[P], 2[N], 10[O],
ASP438OD22512[N], 11[C], 2[P], 10[O],
VAL452CG2111[O],
GLU453CG1111[O], 2[N], 8[C],
GLU453OE2211[O], 1[C],
GLU453OE11412[O], 2[N], 10[C],
GLU453CD711[O], 5[C], 1[N],
HIS454CG1015[C], 3[N], 2[O],
HIS454NE2512[N], 1[C], 2[O],
HIS454CD21213[N], 7[C], 2[O],
HIS454ND1512[O], 1[C], 2[N],
HIS454CE1311[O], 1[C], 1[N],
HIS455NE21715[O], 3[N], 9[C],
HIS455ND11618[C], 3[N], 5[O],
HIS455CE11213[O], 2[N], 7[C],
HIS455CG2214[N], 12[C], 6[O],
HIS455CD22317[O], 4[N], 12[C],
ASP456CG111[O],
ASP456OD2111[O],
ASP456OD1111[O],
HIS457CG312[O], 1[C],
HIS457ND1711[P], 3[C], 3[O],
HIS457NE2111[O],
HIS457CE1312[O], 1[C],
VAL459CG2211[O], 1[C],
SER461OG312[O], 1[P],
SER480OG312[O], 1[C],
MET481CG211[C], 1[O],
MET481SD111[O],
MET481CE311[C], 1[N], 1[O],
PHE482CG1112[O], 5[C], 4[N],
PHE482CZ1412[O], 4[N], 8[C],
PHE482CE21014[C], 4[N], 2[O],
PHE482CD2814[C], 2[N], 2[O],
PHE482CD11619[C], 4[N], 3[O],
PHE482CE11914[O], 11[C], 4[N],
TRP483CZ31015[C], 3[N], 2[O],
TRP483CD11012[O], 4[C], 4[N],
TRP483CZ21413[O], 4[N], 7[C],
TRP483CE31012[O], 5[C], 3[N],
TRP483CE21212[O], 4[N], 6[C],
TRP483CD21112[O], 5[C], 4[N],
TRP483CG1012[O], 4[N], 4[C],
TRP483NE11314[N], 7[C], 2[O],
SER484OG612[N], 3[C], 1[O],
ASP485CG211[C], 1[O],
ASP485OD2111[O],
ASP485OD1211[C], 1[O],
ILE528CG2412[C], 1[N], 1[O],
ILE528CD1412[C], 1[N], 1[O],
SER530OG411[C], 2[N], 1[O],
Total = 149



Download csv file of statistical distribution of contacts