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: FAD_B_5(1EBD) / Model_21(1EBD/B) = [11.6] Download712.0817.05MVVGDFAVELDTVVIGAGPGGYVAAIRAAEMGQKVAIIEREYIGGVCLNVGCIPSKALIAAGHHYQESLDSEMFGVTSENVKLDFAKTQEWKENKVVHTLTSGVGFLLKKHKVETIEGEAFFVDDHTLRVIHPDSAQTYSFNNAIIATGSRPIEIPGFKFGGRVLDSTGGLALKEVPKKFVIIGGGVIGAELGGAYANLGAEVTILEGSPQILPTYEKDLVKLVEDDFKKKGVTVVTNAMAKEAVDNGDSVTVKYAVDGKEESVTADYVMVTVGRRPNTDDMGLEQAGVEVGERGLITVDKQGRTNVPNIYAIGDIVPGAALAHKASYEAKIAAEAISGKKVAVDYKAMPAVAFTDPELASVGMTIKEAKDAGIEAKAYKFPFSGNGRALSLGKTEGFIRLVTTIEDNVLIGAQIGGVGASDMVSELALAIESGMNAEDIALTIHPHPSLGEIVMDASELALGLPIHI
Consensus
[pKd Mean = 11.60]
-712
(s=0)
17
(s=0)
MVVGDFAVELDTVVIGAGPGGYVAAIRAAEMGQKVAIIEREYIGGVCLNVGCIPSKALIAAGHHYQESLDSEMFGVTSENVKLDFAKTQEWKENKVVHTLTSGVGFLLKKHKVETIEGEAFFVDDHTLRVIHPDSAQTYSFNNAIIATGSRPIEIPGFKFGGRVLDSTGGLALKEVPKKFVIIGGGVIGAELGGAYANLGAEVTILEGSPQILPTYEKDLVKLVEDDFKKKGVTVVTNAMAKEAVDNGDSVTVKYAVDGKEESVTADYVMVTVGRRPNTDDMGLEQAGVEVGERGLITVDKQGRTNVPNIYAIGDIVPGAALAHKASYEAKIAAEAISGKKVAVDYKAMPAVAFTDPELASVGMTIKEAKDAGIEAKAYKFPFSGNGRALSLGKTEGFIRLVTTIEDNVLIGAQIGGVGASDMVSELALAIESGMNAEDIALTIHPHPSLGEIVMDASELALGLPIHI



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]
ILE15CG21519[C], 1[O], 5[N],
ILE15CG1914[C], 5[N],
ILE15CD1814[N], 4[C],
PRO19CD2112[P], 11[O], 8[C],
PRO19CG23111[O], 8[C], 2[N], 2[P],
TYR22CE2212[O],
TYR22CG111[O],
TYR22CD2212[O],
ILE38CD1513[N], 2[C],
ILE38CG21015[N], 5[C],
ILE38CG1513[C], 2[N],
GLU39OE22015[O], 10[C], 4[N], 1[P],
GLU39OE12317[O], 10[C], 5[N], 1[P],
GLU39CG17110[C], 4[O], 3[N],
GLU39CD19110[C], 4[O], 1[P], 4[N],
ARG40CD1317[C], 1[O], 5[N],
ARG40CZ1115[C], 1[O], 5[N],
ARG40CG1613[O], 8[C], 5[N],
ARG40NE1216[C], 1[O], 5[N],
GLU41CD1112[N], 3[O], 6[C],
GLU41OE11311[N], 7[C], 5[O],
GLU41CG1217[C], 3[O], 2[N],
GLU41OE21011[N], 6[C], 3[O],
TYR42CD1111[O],
VAL46CG23012[P], 1[N], 14[C], 13[O],
VAL46CG13113[N], 2[P], 9[O], 17[C],
CYS47SG25114[C], 7[O], 4[N],
LEU48CD1212[O],
ASN49CG111[O],
ASN49OD1413[O], 1[C],
VAL50CG1111[C],
VAL50CG2712[O], 5[C],
CYS52SG2817[O], 17[C], 4[N],
PRO54CG111[C],
PRO54CD515[C],
SER55OG14111[C], 1[O], 2[N],
LYS56CG712[N], 4[C], 1[O],
LYS56CD1111[O], 8[C], 2[N],
LYS56CE1712[O], 11[C], 4[N],
LYS56NZ1814[N], 12[C], 2[O],
ILE59CD1111[O],
GLU119OE2814[C], 4[N],
GLU119OE1814[N], 4[C],
GLU119CD1015[C], 5[N],
GLU119CG1015[N], 5[C],
PHE121CG111[N],
PHE121CD1111[N],
PHE122CE1412[C], 2[N],
PHE122CZ211[C], 1[N],
PHE122CD1211[N], 1[C],
LEU128CG311[C], 2[N],
LEU128CD2412[C], 2[N],
LEU128CD1412[N], 2[C],
VAL130CG1211[N], 1[C],
VAL130CG2111[C],
HIS132NE2111[C],
ILE146CG2713[N], 4[C],
THR148OG11915[O], 9[C], 5[N],
THR148CG21915[N], 10[C], 4[O],
SER150OG22110[C], 9[O], 2[P], 1[N],
PRO152CG212[C],
PRO152CD111[C],
SER167OG818[C],
THR168OG1414[C],
LEU171CG515[C],
LEU171CD1717[C],
LEU171CD2414[C],
VAL187CG2211[O], 1[N],
VAL187CG11211[O], 8[C], 3[N],
ILE188CD11813[N], 2[O], 13[C],
ILE188CG21018[C], 2[N],
ILE188CG11613[N], 1[O], 12[C],
GLU191OE11411[O], 10[C], 3[N],
GLU191CD1118[C], 1[O], 2[N],
GLU191CG811[O], 6[C], 1[N],
GLU191OE21111[O], 8[C], 2[N],
LEU192CD2515[C],
LEU192CD1711[N], 6[C],
LEU192CG313[C],
THR272CG2313[C],
ARG275NE1914[O], 14[C], 1[N],
ARG275CD1411[N], 11[C], 2[O],
ARG275CZ20113[C], 5[O], 1[P], 1[N],
ARG275CG716[C], 1[N],
ASN278CG1819[C], 5[O], 1[P], 3[N],
ASN278OD11016[C], 2[O], 2[N],
ASN278ND22219[C], 8[O], 2[P], 3[N],
MET282CG714[C], 3[N],
MET282SD1015[C], 5[N],
MET282CE1211[O], 6[C], 5[N],
ILE313CG2111[O],
ILE313CG1514[O], 1[P],
ILE313CD1511[P], 4[O],
ASP315OD22512[P], 2[N], 11[C], 10[O],
ASP315CG2212[N], 2[P], 10[O], 8[C],
ASP315OD12412[P], 2[N], 9[C], 11[O],
ILE316CG2711[P], 1[N], 3[O], 2[C],
ILE316CG1311[P], 2[O],
ILE316CD1111[O],
VAL317CG2111[O],
LEU322CD21914[N], 11[C], 4[O],
LEU322CG1513[O], 8[C], 4[N],
LEU322CD1912[N], 5[C], 2[O],
HIS324ND1111[O],
HIS324CG311[O], 1[C], 1[N],
HIS324CE1111[O],
HIS324NE2111[O],
HIS324CD2311[N], 1[C], 1[O],
LYS325NZ212[O],
LYS325CE212[O],
SER327OG511[P], 2[C], 2[O],
GLU329OE1111[O],
VAL352CG2813[N], 3[C], 2[O],
VAL352CG1211[N], 1[O],
PHE354CD2512[N], 1[O], 2[C],
PHE354CD1111[O],
PHE354CE1111[O],
PHE354CG211[O], 1[C],
PHE354CZ311[N], 1[O], 1[C],
PHE354CE2613[C], 1[O], 2[N],
Total = 120



Download csv file of statistical distribution of contacts