Study : jhp_0081 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: NACID_D_1(4KI2) / Model_50(4KI2/A) = [10.0] Download--MKKKANEEKAPKRAKQEAKTEATQENKAKESNKENKNNKAKEGKIKEAKTKESKVKETAKEPIPVKKLSFNEALEELFANSLSDCVSYESIIQISAKVPTLAQIKKIKELCQKYQKKLVSSSEYAKKLNAIDKIKNTEEKQKVLDEELEDGYDFLKEKDFLEWSRSDSPVRMYLREMGDIKLLSKDEEIELSKQIRLGEDIILDAICSVPYLIDFIYAYKDALINRERRVKELFRSFDDDDENSVSDPKKDDDSEEDEENEERKKVVSEKDKKRVEKVQESFKALDKAKKEWLKALEAPIDEKEDELVRSLTLAYKRQTLKDRLYDLEPTSKLINELVKTMETTLKSGDGFEKELKRLEYKLPLFNDTLIANHKKILANITNMTKEDIIAQVPEATMVSVYMDLKKLFLTKEASEEGFDLAPNKLKEILEQIKRGKLISDRAKNKMAKSNLRLVVSIAKRFTSRGLPFLDLIQEGNIGLMKAVDKFEHEKGFKFSTYATWWIKQAISRAIADQARTIRIPIHMIDTINRINKVMRKHIQETGKEPDLEVVAEEVGLSLDKVKNVIKVTKEPISLETPVGNDDDGKFGDFVEDKNIVSSIDHIMREDLKAQIESVLDQLNEREKAVIRMRFGLLDDESDRTLEEIGKELNVTRERVRQIESSAIKKLRSPQYGRILRNYLRI
Complex: CHAIN_H_8(4Q4Z) / Model_28(4Q4Z/F) = [10.2] Download--MKKKANEEKAPKRAKQEAKTEATQENKAKESNKENKNNKAKEGKIKEAKTKESKVKETAKEPIPVKKLSFNEALEELFANSLSDCVSYESIIQISAKVPTLAQIKKIKELCQKYQKKLVSSSEYAKKLNAIDKIKNTEEKQKVLDEELEDGYDFLKEKDFLEWSRSDSPVRMYLREMGDIKLLSKDEEIELSKQIRLGEDIILDAICSVPYLIDFIYAYKDALINRERRVKELFRSFDDDDENSVSDPKKDDDSEEDEENEERKKVVSEKDKKRVEKVQESFKALDKAKKEWLKALEAPIDEKEDELVRSLTLAYKRQTLKDRLYDLEPTSKLINELVKTMETTLKSGDGFEKELKRLEYKLPLFNDTLIANHKKILANITNMTKEDIIAQVPEATMVSVYMDLKKLFLTKEASEEGFDLAPNKLKEILEQIKRGKLISDRAKNKMAKSNLRLVVSIAKRFTSRGLPFLDLIQEGNIGLMKAVDKFEHEKGFKFSTYATWWIKQAISRAIADQARTIRIPIHMIDTINRINKVMRKHIQETGKEPDLEVVAEEVGLSLDKVKNVIKVTKEPISLETPVGNDDDGKFGDFVEDKNIVSSIDHIMREDLKAQIESVLDQLNEREKAVIRMRFGLLDDESDRTLEEIGKELNVTRERVRQIESSAIKKLRSPQYGRILRNYLRI
Complex: NACID_H_8(4OIR) / Model_36(4OIR/F) = [10.5] Download--MKKKANEEKAPKRAKQEAKTEATQENKAKESNKENKNNKAKEGKIKEAKTKESKVKETAKEPIPVKKLSFNEALEELFANSLSDCVSYESIIQISAKVPTLAQIKKIKELCQKYQKKLVSSSEYAKKLNAIDKIKNTEEKQKVLDEELEDGYDFLKEKDFLEWSRSDSPVRMYLREMGDIKLLSKDEEIELSKQIRLGEDIILDAICSVPYLIDFIYAYKDALINRERRVKELFRSFDDDDENSVSDPKKDDDSEEDEENEERKKVVSEKDKKRVEKVQESFKALDKAKKEWLKALEAPIDEKEDELVRSLTLAYKRQTLKDRLYDLEPTSKLINELVKTMETTLKSGDGFEKELKRLEYKLPLFNDTLIANHKKILANITNMTKEDIIAQVPEATMVSVYMDLKKLFLTKEASEEGFDLAPNKLKEILEQIKRGKLISDRAKNKMAKSNLRLVVSIAKRFTSRGLPFLDLIQEGNIGLMKAVDKFEHEKGFKFSTYATWWIKQAISRAIADQARTIRIPIHMIDTINRINKVMRKHIQETGKEPDLEVVAEEVGLSLDKVKNVIKVTKEPISLETPVGNDDDGKFGDFVEDKNIVSSIDHIMREDLKAQIESVLDQLNEREKAVIRMRFGLLDDESDRTLEEIGKELNVTRERVRQIESSAIKKLRSPQYGRILRNYLRI
Complex: NACID_H_8(4OIN) / Model_40(4OIN/F) = [10.6] Download--MKKKANEEKAPKRAKQEAKTEATQENKAKESNKENKNNKAKEGKIKEAKTKESKVKETAKEPIPVKKLSFNEALEELFANSLSDCVSYESIIQISAKVPTLAQIKKIKELCQKYQKKLVSSSEYAKKLNAIDKIKNTEEKQKVLDEELEDGYDFLKEKDFLEWSRSDSPVRMYLREMGDIKLLSKDEEIELSKQIRLGEDIILDAICSVPYLIDFIYAYKDALINRERRVKELFRSFDDDDENSVSDPKKDDDSEEDEENEERKKVVSEKDKKRVEKVQESFKALDKAKKEWLKALEAPIDEKEDELVRSLTLAYKRQTLKDRLYDLEPTSKLINELVKTMETTLKSGDGFEKELKRLEYKLPLFNDTLIANHKKILANITNMTKEDIIAQVPEATMVSVYMDLKKLFLTKEASEEGFDLAPNKLKEILEQIKRGKLISDRAKNKMAKSNLRLVVSIAKRFTSRGLPFLDLIQEGNIGLMKAVDKFEHEKGFKFSTYATWWIKQAISRAIADQARTIRIPIHMIDTINRINKVMRKHIQETGKEPDLEVVAEEVGLSLDKVKNVIKVTKEPISLETPVGNDDDGKFGDFVEDKNIVSSIDHIMREDLKAQIESVLDQLNEREKAVIRMRFGLLDDESDRTLEEIGKELNVTRERVRQIESSAIKKLRSPQYGRILRNYLRI
Complex: NACID_H_8(4G7O) / Model_44(4G7O/F) = [11.2] Download--MKKKANEEKAPKRAKQEAKTEATQENKAKESNKENKNNKAKEGKIKEAKTKESKVKETAKEPIPVKKLSFNEALEELFANSLSDCVSYESIIQISAKVPTLAQIKKIKELCQKYQKKLVSSSEYAKKLNAIDKIKNTEEKQKVLDEELEDGYDFLKEKDFLEWSRSDSPVRMYLREMGDIKLLSKDEEIELSKQIRLGEDIILDAICSVPYLIDFIYAYKDALINRERRVKELFRSFDDDDENSVSDPKKDDDSEEDEENEERKKVVSEKDKKRVEKVQESFKALDKAKKEWLKALEAPIDEKEDELVRSLTLAYKRQTLKDRLYDLEPTSKLINELVKTMETTLKSGDGFEKELKRLEYKLPLFNDTLIANHKKILANITNMTKEDIIAQVPEATMVSVYMDLKKLFLTKEASEEGFDLAPNKLKEILEQIKRGKLISDRAKNKMAKSNLRLVVSIAKRFTSRGLPFLDLIQEGNIGLMKAVDKFEHEKGFKFSTYATWWIKQAISRAIADQARTIRIPIHMIDTINRINKVMRKHIQETGKEPDLEVVAEEVGLSLDKVKNVIKVTKEPISLETPVGNDDDGKFGDFVEDKNIVSSIDHIMREDLKAQIESVLDQLNEREKAVIRMRFGLLDDESDRTLEEIGKELNVTRERVRQIESSAIKKLRSPQYGRILRNYLRI
Consensus
[pKd Mean = 10.50]
-0
(s=0)
0
(s=0)
MKKKANEEKAPKRAKQEAKTEATQENKAKESNKENKNNKAKEGKIKEAKTKESKVKETAKEPIPVKKLSFNEALEELFANSLSDCVSYESIIQISAKVPTLAQIKKIKELCQKYQKKLVSSSEYAKKLNAIDKIKNTEEKQKVLDEELEDGYDFLKEKDFLEWSRSDSPVRMYLREMGDIKLLSKDEEIELSKQIRLGEDIILDAICSVPYLIDFIYAYKDALINRERRVKELFRSFDDDDENSVSDPKKDDDSEEDEENEERKKVVSEKDKKRVEKVQESFKALDKAKKEWLKALEAPIDEKEDELVRSLTLAYKRQTLKDRLYDLEPTSKLINELVKTMETTLKSGDGFEKELKRLEYKLPLFNDTLIANHKKILANITNMTKEDIIAQVPEATMVSVYMDLKKLFLTKEASEEGFDLAPNKLKEILEQIKRGKLISDRAKNKMAKSNLRLVVSIAKRFTSRGLPFLDLIQEGNIGLMKAVDKFEHEKGFKFSTYATWWIKQAISRAIADQARTIRIPIHMIDTINRINKVMRKHIQETGKEPDLEVVAEEVGLSLDKVKNVIKVTKEPISLETPVGNDDDGKFGDFVEDKNIVSSIDHIMREDLKAQIESVLDQLNEREKAVIRMRFGLLDDESDRTLEEIGKELNVTRERVRQIESSAIKKLRSPQYGRILRNYLRI