Study : Lmo0105 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GOL_A_8(1GOI) / Model_24(1GOI/A) = [3.5] Download298.7423.40MKKLFSITSVVLLVLSLVVVSIGAEPKRAKAAENVPQYRNVMYYGDWSIWGGEGNFYPKDIPADQLTHLNFAFLDFNSNGDLVFTDKDAAVGAPVGQEGVQWGGANAGVLNAIQDLRAQNPNLKIGVSVGGWSKSGDFSTVAADPTKRANFVKNVMKFVKYTNMDFVDLDWEYPASVRDADLVDNKNDEGTPNAKPADKQNFITLLQDLRTALDKQGVDINKKYELSVALPAAKSTLENGIDVANLFKVVDFANVMTYDLNGAWTPNSAHHTALYGNPKDPNYDSGFSVDQTVKYLKEKGAVSNKIVVGAAFYTRGWNKVAAGTDTALPGLFQAAEKTNKDADGSLTYGANNENPIKTGDGGRAGGVWAYRSIDALKAKTPTLKEYWDDTAKAPYLYSKETGEFYTYDNTRSIGYKAQYVKDNNLGGMISWMQSQDKTTTSTKRDELTKAIKTGLFGTSAIPQNAITYANLNVVATVKPYSENGVGYEITITNNEKADETNEVLKSTELSFETVKLPKFYIPVKAGETLTAGDYKAGTVTTSGGNTVVDLASVYDAQQIPQGASYTFRLKSSASSVDVANISKIDLTQRMVKSSVEFGKQTIFGGGTVVPDPSDTEAPTVPKALASSNVTDKSATLTWTASTDNKAVAGYKVYRNGTEVGSVSGTTFTDSGLTAKTAYTYTVKAYDAAGNFSAASSALTVTTLDAATPPATPAWDAAKTYNKGDRVSYKGKTYEAQWWTQGNEPGAEQWGPWLLIN
Complex: CFF_A_3(3G6M) / Model_33(3G6M/A) = [4.3] Download1089.2147.56MKKLFSITSVVLLVLSLVVVSIGAEPKRAKAAENVPQYRNVMYYGDWSIWGGEGNFYPKDIPADQLTHLNFAFLDFNSNGDLVFTDKDAAVGAPVGQEGVQWGGANAGVLNAIQDLRAQNPNLKIGVSVGGWSKSGDFSTVAADPTKRANFVKNVMKFVKYTNMDFVDLDWEYPASVRDADLVDNKNDEGTPNAKPADKQNFITLLQDLRTALDKQGVDINKKYELSVALPAAKSTLENGIDVANLFKVVDFANVMTYDLNGAWTPNSAHHTALYGNPKDPNYDSGFSVDQTVKYLKEKGAVSNKIVVGAAFYTRGWNKVAAGTDTALPGLFQAAEKTNKDADGSLTYGANNENPIKTGDGGRAGGVWAYRSIDALKAKTPTLKEYWDDTAKAPYLYSKETGEFYTYDNTRSIGYKAQYVKDNNLGGMISWMQSQDKTTTSTKRDELTKAIKTGLFGTSAIPQNAITYANLNVVATVKPYSENGVGYEITITNNEKADETNEVLKSTELSFETVKLPKFYIPVKAGETLTAGDYKAGTVTTSGGNTVVDLASVYDAQQIPQGASYTFRLKSSASSVDVANISKIDLTQRMVKSSVEFGKQTIFGGGTVVPDPSDTEAPTVPKALASSNVTDKSATLTWTASTDNKAVAGYKVYRNGTEVGSVSGTTFTDSGLTAKTAYTYTVKAYDAAGNFSAASSALTVTTLDAATPPATPAWDAAKTYNKGDRVSYKGKTYEAQWWTQGNEPGAEQWGPWLLIN
Complex: CFF_A_2(3G6M) / Model_33(3G6M/A) = [5.2] Download738.4130.53MKKLFSITSVVLLVLSLVVVSIGAEPKRAKAAENVPQYRNVMYYGDWSIWGGEGNFYPKDIPADQLTHLNFAFLDFNSNGDLVFTDKDAAVGAPVGQEGVQWGGANAGVLNAIQDLRAQNPNLKIGVSVGGWSKSGDFSTVAADPTKRANFVKNVMKFVKYTNMDFVDLDWEYPASVRDADLVDNKNDEGTPNAKPADKQNFITLLQDLRTALDKQGVDINKKYELSVALPAAKSTLENGIDVANLFKVVDFANVMTYDLNGAWTPNSAHHTALYGNPKDPNYDSGFSVDQTVKYLKEKGAVSNKIVVGAAFYTRGWNKVAAGTDTALPGLFQAAEKTNKDADGSLTYGANNENPIKTGDGGRAGGVWAYRSIDALKAKTPTLKEYWDDTAKAPYLYSKETGEFYTYDNTRSIGYKAQYVKDNNLGGMISWMQSQDKTTTSTKRDELTKAIKTGLFGTSAIPQNAITYANLNVVATVKPYSENGVGYEITITNNEKADETNEVLKSTELSFETVKLPKFYIPVKAGETLTAGDYKAGTVTTSGGNTVVDLASVYDAQQIPQGASYTFRLKSSASSVDVANISKIDLTQRMVKSSVEFGKQTIFGGGTVVPDPSDTEAPTVPKALASSNVTDKSATLTWTASTDNKAVAGYKVYRNGTEVGSVSGTTFTDSGLTAKTAYTYTVKAYDAAGNFSAASSALTVTTLDAATPPATPAWDAAKTYNKGDRVSYKGKTYEAQWWTQGNEPGAEQWGPWLLIN
Consensus
[pKd Mean = 4.33]		-708
(s=323)		33
(s=10)		MKKLFSITSVVLLVLSLVVVSIGAEPKRAKAAENVPQYRNVMYYGDWSIWGGEGNFYPKDIPADQLTHLNFAFLDFNSNGDLVFTDKDAAVGAPVGQEGVQWGGANAGVLNAIQDLRAQNPNLKIGVSVGGWSKSGDFSTVAADPTKRANFVKNVMKFVKYTNMDFVDLDWEYPASVRDADLVDNKNDEGTPNAKPADKQNFITLLQDLRTALDKQGVDINKKYELSVALPAAKSTLENGIDVANLFKVVDFANVMTYDLNGAWTPNSAHHTALYGNPKDPNYDSGFSVDQTVKYLKEKGAVSNKIVVGAAFYTRGWNKVAAGTDTALPGLFQAAEKTNKDADGSLTYGANNENPIKTGDGGRAGGVWAYRSIDALKAKTPTLKEYWDDTAKAPYLYSKETGEFYTYDNTRSIGYKAQYVKDNNLGGMISWMQSQDKTTTSTKRDELTKAIKTGLFGTSAIPQNAITYANLNVVATVKPYSENGVGYEITITNNEKADETNEVLKSTELSFETVKLPKFYIPVKAGETLTAGDYKAGTVTTSGGNTVVDLASVYDAQQIPQGASYTFRLKSSASSVDVANISKIDLTQRMVKSSVEFGKQTIFGGGTVVPDPSDTEAPTVPKALASSNVTDKSATLTWTASTDNKAVAGYKVYRNGTEVGSVSGTTFTDSGLTAKTAYTYTVKAYDAAGNFSAASSALTVTTLDAATPPATPAWDAAKTYNKGDRVSYKGKTYEAQWWTQGNEPGAEQWGPWLLIN