Study : SA2337 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: GDP_B_4(2WIB) / Model_41(2WIB/A) = [3.2] Download676.1034.00MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVGKLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELNQPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKINYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQIANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV
Complex: FLC_B_6(2WJH) / Model_29(2WJH/B) = [3.5] Download672.4517.73MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVGKLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELNQPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKINYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQIANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV
Complex: AGO_B_6(3HYT) / Model_37(3HYT/B) = [4.9] Download1099.5625.95MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVGKLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELNQPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKINYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQIANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV
Complex: GDP_A_3(2WJH) / Model_13(2WJH/A) = [5.3] Download768.8018.67MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVGKLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELNQPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKINYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQIANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV
Complex: GCP_C_9(3I92) / Model_32(3I92/C) = [5.6] Download1273.4223.68MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVGKLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELNQPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKINYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQIANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV
Consensus
[pKd Mean = 4.50]
-898
(s=244)
24
(s=5)
MENYCILGNPNVGKTSLFNALTGSYEYIGNWSGVTVEKKVGKLKENVGQLIDLPGTYDLSPISKDETVVTDYLLNDSFSGIINIVDASQLKRNVQLTVQLLELNQPIYIGLNMIDVATKRGIKIDYHKLMKKLKTPIFPVVARTGKGTKYLLGEIKHLGEGYQPHFKINYGEKIEETIKNMCQIIMTETSHDKYQARFIAIQFLLNNMQIANELNSEVVNKLSSLRDQVAEQVGAVSVRREMERIRNHYIETLLQDVVTYPDEDKQYFSSRIDKILTHKYIGMPIFLAIMWLIFQTTFTWIGTPLSDQLDAFIGGTFTDSVKTIMNYLGVIPFLQDLITDGIIAGVGSVLVFVPQIVVLFFFISLLEDSGYMARIAVLMDRIMESFGLSGKSFIPMIIGFGCNVPSIMAARSIENEKERLTTILIAPFMSCSARLPVYALFVGIFFKENQSLVVLSLYVLGIIMAFLVSTVLTKTILKNDNAIFIVELPTYRVPSIKTLWRSTWEKAKGFVRKAGTFIFGGSVVIWLLSYVGPHGINVNINQSFLHMVGSFFGMLVQPLGFGTWQAGATLVPGFLAKEVIVSSMAIIYSSGDAGLVNVIQNQFTPLSAYAFMIFILLYIPCVSTVAAIRKETYSWKWTALAVAYPLVTAYVLTFIFYQVGHLFV