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: SER_A_3(4N69) / Model_10(4N69/A) = [3.5] Download4056.8918.03MKKSGTTRKASFDKETYLKGASFLYKKMISYIKFLRKEWKVMSWFTRAIDAAKRNDPAARSTAEIVLTYPGFHALFWHRFSHFLYQHRLFLLAKINAQFWRFLTGVEIHPGATIGTGVFIDHGMGIVIGETAEIEDDVILFHGVTLGGTGKETGKRHPTVKQGAMLSANAQILGPVTIGKNAKIGAGAVVLKDVPDDATAVGVPAKVVRIKGEKVRRSE
Consensus
[pKd Mean = 3.50]		-4056
(s=0)		18
(s=0)		MKKSGTTRKASFDKETYLKGASFLYKKMISYIKFLRKEWKVMSWFTRAIDAAKRNDPAARSTAEIVLTYPGFHALFWHRFSHFLYQHRLFLLAKINAQFWRFLTGVEIHPGATIGTGVFIDHGMGIVIGETAEIEDDVILFHGVTLGGTGKETGKRHPTVKQGAMLSANAQILGPVTIGKNAKIGAGAVVLKDVPDDATAVGVPAKVVRIKGEKVRRSE



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]
GLU107OE1111[O],
HIS109CG111[O],
HIS109CD2111[O],
VAL127CG1612[O], 1[N], 3[C],
VAL127CG2111[O],
GLU130OE2311[C], 2[O],
GLU130CD311[C], 2[O],
GLU130CG311[C], 2[O],
THR131CG2312[O], 1[C],
THR131OG1312[O], 1[C],
THR145CG2211[C], 1[O],
THR149CG2111[C],
THR149OG1411[O], 3[C],
LYS151NZ111[O],
LYS151CG211[O], 1[C],
ARG156CZ713[C], 3[O], 1[N],
ARG156CG713[C], 1[N], 3[O],
ARG156NE713[O], 1[N], 3[C],
ARG156CD711[N], 3[O], 3[C],
HIS157ND1711[N], 3[O], 3[C],
HIS157CD2713[C], 1[N], 3[O],
HIS157CG713[O], 1[N], 3[C],
HIS157CE1713[O], 1[N], 3[C],
HIS157NE2713[C], 1[N], 3[O],
PRO158CD212[O],
LEU173CD2512[O], 3[C],
LEU173CG211[O], 1[C],
LEU173CD1211[O], 1[C],
Total = 28



Download csv file of statistical distribution of contacts