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: DPO_A_12(2F7F) / Model_38(2F7F/A) = [3.3] Download262.070.70MNNTYPDDSLTLHTDLYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAVFAGLERLVNYLENLTFNDSDIAYLRGLEVYPEGFLEYLQNFEFKATVRSAREGELVFANEPLIQVEGPLAHCQLVETALLNMVNFQTLIATKAARIKSVIGEDPLLEFGTRRAQELDAAVWGTRAAYIGGADATSNVRAGKIFGIPASGTHAHSLVQSYGNDYEAFMAYAKTHKDCVFLVDTYDTLKSGVPSAIRVAKELGDKINFQGVRIDSGDMAYISKRVREQLDAAGFTEAKIYASNDLDEATILNLKMQKAKIDVWGVGTKLITAYDQPALGAVFKLVSIEDDEGKMMDTIKLSSNAEKVTTPGKKQVWRITRNFDGKSEGDYVTLWDEDPREEEAIFMFHPVHTFINKTVRDFTARPVLQDIFIEGKRVYELPALNEIKEYTKENLDSLWEEYKRDLNPQKYPVDLSTECWNHKMAIMERMKKSVAELHTEA
Consensus
[pKd Mean = 3.30]		-262
(s=0)		0
(s=0)		MNNTYPDDSLTLHTDLYQINMMQTYWELGRADLHAVFECYFREMPFNHGYAVFAGLERLVNYLENLTFNDSDIAYLRGLEVYPEGFLEYLQNFEFKATVRSAREGELVFANEPLIQVEGPLAHCQLVETALLNMVNFQTLIATKAARIKSVIGEDPLLEFGTRRAQELDAAVWGTRAAYIGGADATSNVRAGKIFGIPASGTHAHSLVQSYGNDYEAFMAYAKTHKDCVFLVDTYDTLKSGVPSAIRVAKELGDKINFQGVRIDSGDMAYISKRVREQLDAAGFTEAKIYASNDLDEATILNLKMQKAKIDVWGVGTKLITAYDQPALGAVFKLVSIEDDEGKMMDTIKLSSNAEKVTTPGKKQVWRITRNFDGKSEGDYVTLWDEDPREEEAIFMFHPVHTFINKTVRDFTARPVLQDIFIEGKRVYELPALNEIKEYTKENLDSLWEEYKRDLNPQKYPVDLSTECWNHKMAIMERMKKSVAELHTEA



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]
ARG163NE715[O], 2[P],
ARG163CG111[O],
ARG163CD514[O], 1[P],
ARG163CZ912[P], 7[O],
ARG164CZ212[O],
THR202OG1211[O], 1[P],
HIS203CE1111[O],
HIS203CG111[O],
HIS203ND1312[O], 1[P],
HIS205ND1917[O], 2[P],
HIS205CD2917[O], 2[P],
HIS205CE1917[O], 2[P],
HIS205NE2912[P], 7[O],
HIS205CG917[O], 2[P],
SER206OG917[O], 2[P],
GLN209OE1612[P], 4[O],
GLN209NE2511[P], 4[O],
GLN209CD514[O], 1[P],
GLN209CG411[P], 3[O],
LEU231CD2912[P], 7[O],
LEU231CG816[O], 2[P],
LEU231CD1715[O], 2[P],
ASP233OD2111[O],
ASP233OD1511[P], 4[O],
ASP233CG111[O],
THR234OG1411[P], 3[O],
THR234CG2311[P], 2[O],
ARG262CG111[O],
ARG262CD312[O], 1[P],
ARG262NE511[P], 4[O],
ARG262CZ712[P], 5[O],
ASP264CG812[P], 6[O],
ASP264OD1511[P], 4[O],
ASP264OD2816[O], 2[P],
SER292OG312[O], 1[P],
Total = 35



Download csv file of statistical distribution of contacts