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 :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: TAR_A_7(5AJT) / Model_24(5AJT/A) = [4.1] Download562.336.08MKLTVFCGSRFGNKESYKFIAQTLGKYMAQEEIELVYGGSYSGIMGVISKTVLENNGKVTGIYPNGLFETELPGKDVTTFIPTETIDERKVLLFEKGDAVLVFPGGLGTLEEFSQLLSWIAIGLTPDKPIGILNIGGYYSGLQQLLETFAKEDFMDKKWLDQVIFSNNPLELVNELRAVSIKNQLLLKEAK
Complex: EDO_A_5(2Q4D) / Model_6(2Q4D/A) = [3.6] Download326.7013.08MKLTVFCGSRFGNKESYKFIAQTLGKYMAQEEIELVYGGSYSGIMGVISKTVLENNGKVTGIYPNGLFETELPGKDVTTFIPTETIDERKVLLFEKGDAVLVFPGGLGTLEEFSQLLSWIAIGLTPDKPIGILNIGGYYSGLQQLLETFAKEDFMDKKWLDQVIFSNNPLELVNELRAVSIKNQLLLKEAK
Complex: SRT_D_13(5AJT) / Model_21(5AJT/D) = [3.5] Download976.689.53MKLTVFCGSRFGNKESYKFIAQTLGKYMAQEEIELVYGGSYSGIMGVISKTVLENNGKVTGIYPNGLFETELPGKDVTTFIPTETIDERKVLLFEKGDAVLVFPGGLGTLEEFSQLLSWIAIGLTPDKPIGILNIGGYYSGLQQLLETFAKEDFMDKKWLDQVIFSNNPLELVNELRAVSIKNQLLLKEAK
Complex: RP5_A_2(5AJU) / Model_4(5AJU/A) = [3.3] Download895.0710.90MKLTVFCGSRFGNKESYKFIAQTLGKYMAQEEIELVYGGSYSGIMGVISKTVLENNGKVTGIYPNGLFETELPGKDVTTFIPTETIDERKVLLFEKGDAVLVFPGGLGTLEEFSQLLSWIAIGLTPDKPIGILNIGGYYSGLQQLLETFAKEDFMDKKWLDQVIFSNNPLELVNELRAVSIKNQLLLKEAK
Consensus
[pKd Mean = 3.62]		-690
(s=261)		9
(s=2)		MKLTVFCGSRFGNKESYKFIAQTLGKYMAQEEIELVYGGSYSGIMGVISKTVLENNGKVTGIYPNGLFETELPGKDVTTFIPTETIDERKVLLFEKGDAVLVFPGGLGTLEEFSQLLSWIAIGLTPDKPIGILNIGGYYSGLQQLLETFAKEDFMDKKWLDQVIFSNNPLELVNELRAVSIKNQLLLKEAK



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]
PHE6CZ141[O],
PHE6CG342[O], 1[C],
PHE6CD2141[O],
PHE6CE1341[C], 2[O],
PHE6CD1643[C], 3[O],
CYS7SG946[O], 3[C],
SER9OG37415[C], 1[P], 21[O],
ARG10CD2341[P], 9[C], 13[O],
ARG10NE2241[P], 9[C], 12[O],
ARG10CG28416[O], 11[C], 1[P],
ARG10CZ1549[O], 6[C],
PHE11CG141[O],
PHE11CD2141[O],
SER40OG1146[C], 5[O],
ILE44CG1642[C], 4[O],
ILE44CG2241[C], 1[O],
ILE44CD1942[C], 7[O],
MET45CE37421[O], 15[C], 1[P],
MET45SD28415[O], 12[C], 1[P],
MET45CG2041[P], 7[C], 12[O],
TYR63CE2141[O],
TYR63CD2141[O],
PRO64CD543[C], 2[O],
PRO64CG543[C], 2[O],
LEU67CD2442[O], 2[C],
LEU67CG442[O], 2[C],
LEU67CD1944[O], 5[C],
GLU71CD141[C],
GLU71OE2241[C], 1[O],
ARG89NE844[C], 4[O],
ARG89CZ945[C], 4[O],
ARG89CD643[C], 3[O],
ARG89CG442[O], 2[C],
LYS90CE141[O],
LYS90CG442[O], 2[C],
LYS90CD442[C], 2[O],
LEU93CD1341[C], 2[O],
LEU107CG1747[C], 1[P], 9[O],
LEU107CD11241[P], 4[C], 7[O],
LEU107CD2646[O],
THR109CG238422[O], 1[P], 15[C],
THR109OG134420[O], 13[C], 1[P],
LEU110CG242[O],
GLU111CD141[O],
GLU111OE1442[O], 2[C],
GLU112OE222412[O], 1[P], 9[C],
GLU112CG1145[C], 6[O],
GLU112CD2149[C], 1[P], 11[O],
GLU112OE12441[P], 9[C], 14[O],
TYR138CE1141[O],
TYR138CE2141[O],
TYR138CZ441[C], 3[O],
Total = 52



Download csv file of statistical distribution of contacts