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 :C2_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 C2_S1
Complex: IMD_D_14(3VDP) / Model_42(3VDP/D) = [3.9] Download177.0932.25MPLAIMASEDHSGLIQAVESSDVTYLTKFPGVGKKTAQQMILDLKGKFGELSIDTPFSLFDEANTKDATALSEAMEALSALGYSDREIKRVEKQLKEVDNQTTDEYLRQALKLMMKK
Consensus
[pKd Mean = 3.90]
-177
(s=0)
32
(s=0)
MPLAIMASEDHSGLIQAVESSDVTYLTKFPGVGKKTAQQMILDLKGKFGELSIDTPFSLFDEANTKDATALSEAMEALSALGYSDREIKRVEKQLKEVDNQTTDEYLRQALKLMMKK



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]
THR27CG2111[N],
VAL32CG1211[N], 1[C],
LYS34CG411[N], 3[C],
LYS34CD211[C], 1[N],
LYS35NZ513[C], 2[N],
LYS35CG513[C], 2[N],
LYS35CD512[N], 3[C],
LYS35CE513[C], 2[N],
THR36CG2513[C], 2[N],
THR36OG1512[N], 3[C],
GLN39CD211[C], 1[N],
GLN39CG111[C],
GLN39OE1312[N], 1[C],
GLN39NE2312[N], 1[C],
Total = 14



Download csv file of statistical distribution of contacts