Study : bsu33360 (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: GP9_A_4(2W5T) / Model_6(2W5T/A) = [3.5] Download413.405.73MKGTFFHNQRFLCFSILFMWIKTYVIYKLGFDLQIDTLLEELMLLVNPLSFILPLFGIGLFLKENKQRAFLLIANLVLTVILISNTIFYGFYIDFITIPVLFQASNMSDMGSSVKELFHPLFIALFVDLVFLLLFARKTKHPQTKAAPHTIKRYYAASCGMLLCTLALAEVQQPKLLAHSFDREMLVKSIGLFQFHIYDTISQTVNISAKAFADEDSITAIKNYTEADYSKPDQSKFGLAKGRNVIFVTLESTQSFVLNEKVNGKEITPFMNDLIKKSYSFDHFYQQTEQGKTSDSEFIVANSLYPSLSGAVFFTKSDHQFHTMYKSLKQHDYYSAVFHANHKTFWNRDVMYDTFGIDRFFDVDDFHVTPGTSTSWGLKDKEFLEQSAKKLKSLPQPFYSSFITLTNHFPFEIDEKDQLIDEFDSSSDLLNRYVTTVRYEDEALKHFIKKLKDEGLYENSMIVFMGDHYGISEAHNEAMAEFLGKDEITPYDNVQLQRVPFIIHIPGITDQQPETIPDAGGQVDVRPTLMHLLGVETKGDIQFGNDLLSGDRTPFAVLRNGSFITNDYVYTKNTCYSQKTGEVLEDQDACLPYKEKANEELSLSDKILNGDLLRFSE
Complex: GP9_A_4(2W5R) / Model_7(2W5R/A) = [3.7] Download423.283.44MKGTFFHNQRFLCFSILFMWIKTYVIYKLGFDLQIDTLLEELMLLVNPLSFILPLFGIGLFLKENKQRAFLLIANLVLTVILISNTIFYGFYIDFITIPVLFQASNMSDMGSSVKELFHPLFIALFVDLVFLLLFARKTKHPQTKAAPHTIKRYYAASCGMLLCTLALAEVQQPKLLAHSFDREMLVKSIGLFQFHIYDTISQTVNISAKAFADEDSITAIKNYTEADYSKPDQSKFGLAKGRNVIFVTLESTQSFVLNEKVNGKEITPFMNDLIKKSYSFDHFYQQTEQGKTSDSEFIVANSLYPSLSGAVFFTKSDHQFHTMYKSLKQHDYYSAVFHANHKTFWNRDVMYDTFGIDRFFDVDDFHVTPGTSTSWGLKDKEFLEQSAKKLKSLPQPFYSSFITLTNHFPFEIDEKDQLIDEFDSSSDLLNRYVTTVRYEDEALKHFIKKLKDEGLYENSMIVFMGDHYGISEAHNEAMAEFLGKDEITPYDNVQLQRVPFIIHIPGITDQQPETIPDAGGQVDVRPTLMHLLGVETKGDIQFGNDLLSGDRTPFAVLRNGSFITNDYVYTKNTCYSQKTGEVLEDQDACLPYKEKANEELSLSDKILNGDLLRFSE
Complex: GP9_A_4(2W5S) / Model_5(2W5S/A) = [3.8] Download441.235.73MKGTFFHNQRFLCFSILFMWIKTYVIYKLGFDLQIDTLLEELMLLVNPLSFILPLFGIGLFLKENKQRAFLLIANLVLTVILISNTIFYGFYIDFITIPVLFQASNMSDMGSSVKELFHPLFIALFVDLVFLLLFARKTKHPQTKAAPHTIKRYYAASCGMLLCTLALAEVQQPKLLAHSFDREMLVKSIGLFQFHIYDTISQTVNISAKAFADEDSITAIKNYTEADYSKPDQSKFGLAKGRNVIFVTLESTQSFVLNEKVNGKEITPFMNDLIKKSYSFDHFYQQTEQGKTSDSEFIVANSLYPSLSGAVFFTKSDHQFHTMYKSLKQHDYYSAVFHANHKTFWNRDVMYDTFGIDRFFDVDDFHVTPGTSTSWGLKDKEFLEQSAKKLKSLPQPFYSSFITLTNHFPFEIDEKDQLIDEFDSSSDLLNRYVTTVRYEDEALKHFIKKLKDEGLYENSMIVFMGDHYGISEAHNEAMAEFLGKDEITPYDNVQLQRVPFIIHIPGITDQQPETIPDAGGQVDVRPTLMHLLGVETKGDIQFGNDLLSGDRTPFAVLRNGSFITNDYVYTKNTCYSQKTGEVLEDQDACLPYKEKANEELSLSDKILNGDLLRFSE
Consensus
[pKd Mean = 3.67]
-425
(s=11)
4
(s=1)
MKGTFFHNQRFLCFSILFMWIKTYVIYKLGFDLQIDTLLEELMLLVNPLSFILPLFGIGLFLKENKQRAFLLIANLVLTVILISNTIFYGFYIDFITIPVLFQASNMSDMGSSVKELFHPLFIALFVDLVFLLLFARKTKHPQTKAAPHTIKRYYAASCGMLLCTLALAEVQQPKLLAHSFDREMLVKSIGLFQFHIYDTISQTVNISAKAFADEDSITAIKNYTEADYSKPDQSKFGLAKGRNVIFVTLESTQSFVLNEKVNGKEITPFMNDLIKKSYSFDHFYQQTEQGKTSDSEFIVANSLYPSLSGAVFFTKSDHQFHTMYKSLKQHDYYSAVFHANHKTFWNRDVMYDTFGIDRFFDVDDFHVTPGTSTSWGLKDKEFLEQSAKKLKSLPQPFYSSFITLTNHFPFEIDEKDQLIDEFDSSSDLLNRYVTTVRYEDEALKHFIKKLKDEGLYENSMIVFMGDHYGISEAHNEAMAEFLGKDEITPYDNVQLQRVPFIIHIPGITDQQPETIPDAGGQVDVRPTLMHLLGVETKGDIQFGNDLLSGDRTPFAVLRNGSFITNDYVYTKNTCYSQKTGEVLEDQDACLPYKEKANEELSLSDKILNGDLLRFSE