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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FAD_A_3(2GQF) / Model_1(2GQF/A) = [12.1] Download541.7610.00MSKCWHDSICPFLIFKINRELLMSNSHVDVIVLGAGASGLMLAAHAAKRGRSVLILEKANKIGKKILMSGGGKCNFTNLYVEPENYISHNPHFVISALSRYSNWDFIGLVCDYGIAYEERKHGQLFTLNGAKEILEMLVSECNKTNNVEIQTHCKVGEIDLLEQGGFSVHTNQGRFSCESLVVATGGLSIPTLGGSGFGYELAQKFGHTVFPTRAGLVPFTFSDHIKEVTTRLSGNALDVTLTNSKNSFTEALLFTHRGLSGPSSLQLSNYWNTGESFKIDFFPSQDLATYLKDKKKAQPKVLLRTLLNEFTAKSIVQELQQLIWPEQSETPIGNISDAQLEHIAEQLHGFTVKPSGTEGYRTAEVTLGGIDTTEVSSKTFESKKQKGLFFIGEVLDVTGHLGGYNFQWAWSSAYAAAQYV
Complex: FDA_A_2(3V76) / Model_119(3V76/A) = [11.2] Download1625.2415.67MSKCWHDSICPFLIFKINRELLMSNSHVDVIVLGAGASGLMLAAHAAKRGRSVLILEKANKIGKKILMSGGGKCNFTNLYVEPENYISHNPHFVISALSRYSNWDFIGLVCDYGIAYEERKHGQLFTLNGAKEILEMLVSECNKTNNVEIQTHCKVGEIDLLEQGGFSVHTNQGRFSCESLVVATGGLSIPTLGGSGFGYELAQKFGHTVFPTRAGLVPFTFSDHIKEVTTRLSGNALDVTLTNSKNSFTEALLFTHRGLSGPSSLQLSNYWNTGESFKIDFFPSQDLATYLKDKKKAQPKVLLRTLLNEFTAKSIVQELQQLIWPEQSETPIGNISDAQLEHIAEQLHGFTVKPSGTEGYRTAEVTLGGIDTTEVSSKTFESKKQKGLFFIGEVLDVTGHLGGYNFQWAWSSAYAAAQYV
Consensus
[pKd Mean = 11.65]		-1083
(s=541)		12
(s=2)		MSKCWHDSICPFLIFKINRELLMSNSHVDVIVLGAGASGLMLAAHAAKRGRSVLILEKANKIGKKILMSGGGKCNFTNLYVEPENYISHNPHFVISALSRYSNWDFIGLVCDYGIAYEERKHGQLFTLNGAKEILEMLVSECNKTNNVEIQTHCKVGEIDLLEQGGFSVHTNQGRFSCESLVVATGGLSIPTLGGSGFGYELAQKFGHTVFPTRAGLVPFTFSDHIKEVTTRLSGNALDVTLTNSKNSFTEALLFTHRGLSGPSSLQLSNYWNTGESFKIDFFPSQDLATYLKDKKKAQPKVLLRTLLNEFTAKSIVQELQQLIWPEQSETPIGNISDAQLEHIAEQLHGFTVKPSGTEGYRTAEVTLGGIDTTEVSSKTFESKKQKGLFFIGEVLDVTGHLGGYNFQWAWSSAYAAAQYV



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]
LEU33CG1628[C], 8[N],
LEU33CD21628[C], 8[N],
LEU33CD11628[N], 8[C],
SER38OG3024[P], 8[C], 18[O],
LEU40CD1626[O],
LEU40CG525[O],
ILE55CG2421[N], 2[C], 1[O],
LEU56CD1422[N], 2[C],
LEU56CG422[N], 2[C],
LEU56CD2221[C], 1[N],
GLU57OE12227[O], 12[C], 3[N],
GLU57CG3027[N], 16[C], 7[O],
GLU57OE22628[O], 13[C], 1[P], 4[N],
GLU57CD2926[N], 15[C], 1[P], 7[O],
LYS58CD3125[O], 10[N], 16[C],
LYS58NZ2421[O], 10[N], 13[C],
LYS58CG3225[O], 17[C], 10[N],
LYS58CE27214[C], 10[N], 3[O],
ILE62CG2121[O],
ILE62CG1121[O],
LYS64CE925[C], 4[O],
LYS64CD1127[C], 4[O],
LYS64NZ925[C], 4[O],
LYS64CG1025[O], 5[C],
LYS65CD7124[P], 38[C], 6[N], 23[O],
LYS65CG6424[P], 36[C], 4[N], 20[O],
LYS65NZ5824[P], 34[C], 2[N], 18[O],
LYS65CE60220[O], 4[P], 34[C], 2[N],
ILE66CG2626[O],
ILE66CG12928[C], 4[P], 17[O],
ILE66CD125215[O], 4[P], 6[C],
MET68SD626[C],
MET68CE626[C],
MET68CG1421[N], 13[C],
SER69OG4728[O], 31[C], 8[N],
CYS74SG2127[N], 9[C], 5[O],
ASN75ND21924[O], 9[C], 6[N],
ASN75CG2024[O], 7[N], 9[C],
ASN75OD11828[C], 6[N], 4[O],
PHE76CG121[N],
THR77OG1222[O],
TYR86CE2121[O],
TYR86CZ121[O],
GLN124OE1222[O],
GLN124CD222[O],
GLN124CG322[O], 1[N],
PHE126CE2822[O], 3[C], 3[N],
PHE126CE1822[O], 3[N], 3[C],
PHE126CG222[O],
PHE126CZ823[C], 3[N], 2[O],
PHE126CD1422[O], 1[C], 1[N],
PHE126CD2421[N], 1[C], 2[O],
CYS154SG121[C],
LYS155CD1327[N], 6[C],
LYS155CG1628[N], 8[C],
LYS155CE1025[N], 5[C],
LYS155NZ523[N], 2[C],
VAL156CG11326[N], 7[C],
VAL156CG21929[C], 10[N],
ILE159CD1121[N],
THR171CG2221[C], 1[N],
THR171OG1221[C], 1[N],
VAL183CG1121[N],
THR185OG139210[N], 1[P], 20[C], 8[O],
THR185CG23828[O], 20[C], 10[N],
SER189OG3026[O], 22[C], 2[N],
ILE190CD116216[C],
ILE190CG11622[O], 14[C],
ILE190CG2929[C],
LEU193CD21425[O], 1[P], 8[C],
LEU193CD1726[C], 1[O],
LEU193CG926[C], 3[O],
SER196OG3124[O], 10[N], 17[C],
PHE198CG21210[N], 10[C], 1[O],
PHE198CE21829[C], 9[N],
PHE198CZ1628[C], 8[N],
PHE198CD120210[N], 10[C],
PHE198CD22221[O], 10[N], 11[C],
PHE198CE11527[N], 8[C],
GLU201CD222[N],
GLU201OE2121[N],
GLU201OE1321[C], 2[N],
LEU217CD13324[O], 21[C], 8[N],
LEU217CG1026[C], 4[N],
GLU365OE24628[N], 30[C], 8[O],
GLU365OE142228[C], 8[N], 6[O],
GLU365CG4728[O], 8[N], 31[C],
GLU365CD4628[O], 30[C], 8[N],
VAL366CG22824[N], 18[C], 6[O],
VAL366CG133222[C], 6[N], 5[O],
ILE392CD1622[P], 4[O],
ILE392CG1922[P], 7[O],
GLU394OE151220[O], 23[C], 4[P], 4[N],
GLU394OE23922[N], 18[C], 4[P], 15[O],
GLU394CD47220[O], 3[N], 4[P], 20[C],
GLU394CG3422[N], 4[P], 10[C], 18[O],
VAL395CG2222[O],
VAL395CG1822[P], 6[O],
LEU396CG121[O],
THR399CG2222[O],
LEU402CG1629[C], 5[N], 2[O],
LEU402CD127215[C], 8[N], 4[O],
LEU402CD2221[O], 1[C],
TYR405CE1222[O],
TYR405CD2222[O],
TYR405CD1622[C], 2[N], 2[O],
TYR405CG522[C], 1[N], 2[O],
ASN406ND24028[N], 24[C], 8[O],
ASN406OD129216[C], 6[N], 7[O],
ASN406CG42210[O], 24[C], 8[N],
PHE407CD148212[O], 28[C], 8[N],
PHE407CG48225[C], 1[P], 8[N], 14[O],
PHE407CE26524[P], 29[C], 8[N], 24[O],
PHE407CD257221[O], 8[N], 24[C], 4[P],
PHE407CE152214[O], 8[N], 30[C],
PHE407CZ63219[O], 8[N], 4[P], 32[C],
GLN408CG121[O],
TRP409CD11122[P], 3[C], 6[O],
TRP409NE1523[O], 2[C],
TRP409CG725[O], 2[C],
TRP411CD1222[O],
TRP411CZ3625[O], 1[C],
TRP411CZ2823[C], 5[O],
TRP411CD2121[O],
TRP411CE3424[O],
TRP411NE1521[N], 2[C], 2[O],
TRP411CE2321[C], 2[O],
SER413OG826[O], 2[P],
Total = 128



Download csv file of statistical distribution of contacts