Study : SA1959 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: BG6_B_4(2PUW) / Model_36(2PUW/B) = [3.1] Download674.4020.19MCGIVGYIGYDNAKELLLKGLEKLEYRGYDSAGIAVVNDDNTTVFKEKGRIAELRKVADSSDFDGPVGIGHTRWATHGVPNHENSHPHQSSNGRFTLVHNGVIENYEELKGEYLQGVSFISETDTEVIVQLVEYFSNQGLSTEEAFTKVVSLLHGSYALGLLDAEDKDTIYVAKNKSPLLLGVGEGFNVIASDALAMLQVTSEYKEIHDHEIVIVKKDEVIIKDADGNVVERDSYIAEIDASDAEKGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIINDVKEADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPEIAVASTKAYTAQIAVLSILSQIVAKEHGREADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISYIQAEGFAGGELKHGTIALIEDGTPVVALATQENVNLSIRGNVKEVVARGAHPCIISMEGLEKEGDTYVIPHVHELLTPLVSVVALQLISYYAALHRDLDVDKPRNLAKSVTVE
Complex: GLP_X_2(2VF5) / Model_6(2VF5/X) = [3.3] Download547.9231.75MCGIVGYIGYDNAKELLLKGLEKLEYRGYDSAGIAVVNDDNTTVFKEKGRIAELRKVADSSDFDGPVGIGHTRWATHGVPNHENSHPHQSSNGRFTLVHNGVIENYEELKGEYLQGVSFISETDTEVIVQLVEYFSNQGLSTEEAFTKVVSLLHGSYALGLLDAEDKDTIYVAKNKSPLLLGVGEGFNVIASDALAMLQVTSEYKEIHDHEIVIVKKDEVIIKDADGNVVERDSYIAEIDASDAEKGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIINDVKEADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPEIAVASTKAYTAQIAVLSILSQIVAKEHGREADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISYIQAEGFAGGELKHGTIALIEDGTPVVALATQENVNLSIRGNVKEVVARGAHPCIISMEGLEKEGDTYVIPHVHELLTPLVSVVALQLISYYAALHRDLDVDKPRNLAKSVTVE
Complex: G6P_A_2(2ZJ3) / Model_49(2ZJ3/A) = [3.5] Download570.1331.14MCGIVGYIGYDNAKELLLKGLEKLEYRGYDSAGIAVVNDDNTTVFKEKGRIAELRKVADSSDFDGPVGIGHTRWATHGVPNHENSHPHQSSNGRFTLVHNGVIENYEELKGEYLQGVSFISETDTEVIVQLVEYFSNQGLSTEEAFTKVVSLLHGSYALGLLDAEDKDTIYVAKNKSPLLLGVGEGFNVIASDALAMLQVTSEYKEIHDHEIVIVKKDEVIIKDADGNVVERDSYIAEIDASDAEKGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIINDVKEADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPEIAVASTKAYTAQIAVLSILSQIVAKEHGREADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISYIQAEGFAGGELKHGTIALIEDGTPVVALATQENVNLSIRGNVKEVVARGAHPCIISMEGLEKEGDTYVIPHVHELLTPLVSVVALQLISYYAALHRDLDVDKPRNLAKSVTVE
Complex: G6P_A_2(2ZJ3) / Model_13(2ZJ3/A) = [3.5] Download622.5431.14MCGIVGYIGYDNAKELLLKGLEKLEYRGYDSAGIAVVNDDNTTVFKEKGRIAELRKVADSSDFDGPVGIGHTRWATHGVPNHENSHPHQSSNGRFTLVHNGVIENYEELKGEYLQGVSFISETDTEVIVQLVEYFSNQGLSTEEAFTKVVSLLHGSYALGLLDAEDKDTIYVAKNKSPLLLGVGEGFNVIASDALAMLQVTSEYKEIHDHEIVIVKKDEVIIKDADGNVVERDSYIAEIDASDAEKGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIINDVKEADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPEIAVASTKAYTAQIAVLSILSQIVAKEHGREADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISYIQAEGFAGGELKHGTIALIEDGTPVVALATQENVNLSIRGNVKEVVARGAHPCIISMEGLEKEGDTYVIPHVHELLTPLVSVVALQLISYYAALHRDLDVDKPRNLAKSVTVE
Complex: G6Q_A_3(2J6H) / Model_4(2J6H/A) = [3.6] Download514.7826.20MCGIVGYIGYDNAKELLLKGLEKLEYRGYDSAGIAVVNDDNTTVFKEKGRIAELRKVADSSDFDGPVGIGHTRWATHGVPNHENSHPHQSSNGRFTLVHNGVIENYEELKGEYLQGVSFISETDTEVIVQLVEYFSNQGLSTEEAFTKVVSLLHGSYALGLLDAEDKDTIYVAKNKSPLLLGVGEGFNVIASDALAMLQVTSEYKEIHDHEIVIVKKDEVIIKDADGNVVERDSYIAEIDASDAEKGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIINDVKEADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPEIAVASTKAYTAQIAVLSILSQIVAKEHGREADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISYIQAEGFAGGELKHGTIALIEDGTPVVALATQENVNLSIRGNVKEVVARGAHPCIISMEGLEKEGDTYVIPHVHELLTPLVSVVALQLISYYAALHRDLDVDKPRNLAKSVTVE
Consensus
[pKd Mean = 3.40]		-585
(s=56)		28
(s=4)		MCGIVGYIGYDNAKELLLKGLEKLEYRGYDSAGIAVVNDDNTTVFKEKGRIAELRKVADSSDFDGPVGIGHTRWATHGVPNHENSHPHQSSNGRFTLVHNGVIENYEELKGEYLQGVSFISETDTEVIVQLVEYFSNQGLSTEEAFTKVVSLLHGSYALGLLDAEDKDTIYVAKNKSPLLLGVGEGFNVIASDALAMLQVTSEYKEIHDHEIVIVKKDEVIIKDADGNVVERDSYIAEIDASDAEKGVYAHYMLKEIHEQPAVMRRIIQEYQDAEGNLKIDQDIINDVKEADRIYVIAAGTSYHAGLVGKEFLEKWAGVPTEVHVASEFVYNMPLLSEKPLFVYISQSGETADSRAVLVETNKLGHKSLTITNVAGSTLSREADHTLLLHAGPEIAVASTKAYTAQIAVLSILSQIVAKEHGREADIDLLRELAKVTTAIEAIVDDAPIMEQIATDFLETTRNAFFIGRTIDYNVSLEGALKLKEISYIQAEGFAGGELKHGTIALIEDGTPVVALATQENVNLSIRGNVKEVVARGAHPCIISMEGLEKEGDTYVIPHVHELLTPLVSVVALQLISYYAALHRDLDVDKPRNLAKSVTVE