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_B_5(4N69) / Model_129(4N69/B) = [3.5] Download1864.6914.48MGWWRETIDIVKENDPAARTTLEVLLTYPGVKALAAHRLSHFLWKHGFKLLARMYSQFWRFWTQIEIHPGAQIDSGVFIDHGSGLVIGETAIVEKGVLLYHGVTLGGTGKDCGKRHPTVRKGALISAHAQVIGPVEIGENAKVGAAAVVVADVPSDVTVVGIPAKIVRLHGKKDEPVIHEVEEKREYYVNKLEQAKDASHRSSGL
Consensus
[pKd Mean = 3.50]		-1864
(s=0)		14
(s=0)		MGWWRETIDIVKENDPAARTTLEVLLTYPGVKALAAHRLSHFLWKHGFKLLARMYSQFWRFWTQIEIHPGAQIDSGVFIDHGSGLVIGETAIVEKGVLLYHGVTLGGTGKDCGKRHPTVRKGALISAHAQVIGPVEIGENAKVGAAAVVVADVPSDVTVVGIPAKIVRLHGKKDEPVIHEVEEKREYYVNKLEQAKDASHRSSGL



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]
HIS68CD2111[O],
HIS68CG111[O],
VAL86CG2111[O],
VAL86CG1612[O], 1[N], 3[C],
GLU89CD312[O], 1[C],
GLU89OE1312[O], 1[C],
GLU89CG311[C], 2[O],
THR90OG1312[O], 1[C],
THR90CG2311[C], 2[O],
THR104CG2211[C], 1[O],
THR108OG1413[C], 1[O],
THR108CG2111[C],
LYS110NZ111[O],
LYS110CG311[O], 2[C],
ASP111CG111[N],
ASP111OD1512[O], 1[N], 2[C],
ARG115CD711[N], 3[C], 3[O],
ARG115CG713[O], 3[C], 1[N],
ARG115CZ713[O], 1[N], 3[C],
ARG115NE713[O], 3[C], 1[N],
HIS116NE2711[N], 3[C], 3[O],
HIS116CE1711[N], 3[C], 3[O],
HIS116CD2713[C], 1[N], 3[O],
HIS116CG713[C], 1[N], 3[O],
HIS116ND1713[C], 1[N], 3[O],
PRO117CD212[O],
ILE132CG2211[C], 1[O],
Total = 27



Download csv file of statistical distribution of contacts