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: EDO_A_7(4DHK) / Model_1(4DHK/A) = [3.3] Download216.2244.60MAIKSDRWIREMSEKHGMIEPYAENQVRFDKNGEKLISYGVSSYGYDVRCAREFKVFTNVHSAIVDPKNFDEKSFIDIESDVCIIPPNSFALARTIEYFRIPRNVLTVCLGKSTYARCGIIVNVTPLEPEWEGHVTLEFSNTTNLPARIYAGEGVAQMLFFESDEVCETSYKDRGGKYQGQTGVTLPKT
Consensus
[pKd Mean = 3.30]		-216
(s=0)		44
(s=0)		MAIKSDRWIREMSEKHGMIEPYAENQVRFDKNGEKLISYGVSSYGYDVRCAREFKVFTNVHSAIVDPKNFDEKSFIDIESDVCIIPPNSFALARTIEYFRIPRNVLTVCLGKSTYARCGIIVNVTPLEPEWEGHVTLEFSNTTNLPARIYAGEGVAQMLFFESDEVCETSYKDRGGKYQGQTGVTLPKT



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]
THR95OG1211[C], 1[O],
THR95CG2111[O],
PHE99CD1111[C],
ILE101CG1111[C],
THR107OG1211[O], 1[C],
CYS109SG111[O],
VAL124CG1412[C], 2[O],
VAL124CG2412[C], 2[O],
THR125OG1412[C], 2[O],
THR125CG2412[C], 2[O],
PRO126CG111[O],
PRO126CD211[C], 1[O],
LEU127CG412[O], 2[C],
LEU127CD2412[O], 2[C],
LEU127CD1412[C], 2[O],
GLU128CG211[C], 1[O],
TRP131CZ2412[O], 2[C],
TRP131NE1412[O], 2[C],
TRP131CG412[O], 2[C],
TRP131CD2412[C], 2[O],
TRP131CZ3412[O], 2[C],
TRP131CE3412[C], 2[O],
TRP131CE2412[C], 2[O],
TRP131CD1412[C], 2[O],
VAL135CG2412[C], 2[O],
VAL135CG1412[C], 2[O],
THR136CG2412[C], 2[O],
THR136OG1412[O], 2[C],
LEU137CD2212[O],
LEU137CG111[O],
MET158CE211[O], 1[C],
TYR171CE1111[C],
Total = 32



Download csv file of statistical distribution of contacts