Study : bsu40920 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GDP_A_2(2DBY) / Model_63(2DBY/A) = [3.4] Download835.1413.35MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV
Complex: GDP_A_2(2DBY) / Model_3(2DBY/A) = [3.4] Download851.4513.35MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV
Complex: GDP_A_7(1MKY) / Model_72(1MKY/A) = [4.6] Download853.5426.38MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV
Complex: GNP_A_3(5EE9) / Model_6(5EE9/A) = [5.2] Download1662.3617.13MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV
Complex: ANP_A_3(5EE3) / Model_5(5EE3/A) = [6.6] Download1532.0615.07MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV
Consensus
[pKd Mean = 4.64]		-1146
(s=370)		17
(s=4)		MALTAGIVGLPNVGKSTLFNAITQAGAESANYPFCTIDPNVGIVEVPDDRLQKLTELVNPKKTVPTAFEFTDIAGIVKGASKGEGLGNKFLSHIRQVDAICHVVRAFSDDNITHVSGKVDPIDDIETINLELILADMETVEKRITRVSKLAKQKDKDAVFEFEILSKLKEAFESEKPARSVEFTEEQQKLVKQLHLLTSKPILYVANVSEDEVADPSGNENVAKIREYAAGENAEVIVVCAKIESEIAELEGEEKQMFLEELGIQESGLDQLIKASYSLLGLATYFTAGEQEVRAWTFKKGMKAPECAGIIHSDFERGFIRAETVAYEDLLAGGGMAGAKEAGKVRLEGKEYVVQDGDVIHFRFNV