Study : PA0074 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ACP_A_2(1O6Y) / Model_1(1O6Y/A) = [5.5] Download1331.5219.61MDIELPGFDIERELGEGAMATVYLATQRSLQRKVALKVMAAALAADPSFAERFLREGRTLARLSHPNTVTIHDIGNVGSCYYMAMEYLPNGTLKERIQQGLDPEQGLAYVRQVAAALGYAHSQGLVHRDVKPANILFRADGTAVLSDFGIAKSIEDNTQFTQVGFAVGTPSYMSPEQARGQEIDGRADLYALGVVLYEILTGKLPYNGKDSLSTALAHLTEPLPELPIEQGRYQDILRQLLAKDPAERFPTAGALIAALDRLAPSALEATQIRPLATPQGSPRASNPPPAEPAPLPPADLGGLQPVSIQLPPVTPSAGGATPPPPPPSQAAKPPSPPPPPLPPAKPRAGGSRTPLIAAAAAAVLLAIGGGAWWLLGSGDAPSAADPAPLGQTPADKPQQQTPVADAEQDGGERPLLMPGKKTLFQRVLTKPGAAISAEAGGPPRAGAVPAFSVLYVYARKQVGGSPWLRVGASSNGEGDGWLPASAVSDWKQSLVLKFTERSGRAPVMFLNSAEQVERLLGDTRAARDTLTQAVDHKGDPQVVAVEPNDRAIPQDQFYLLPIFDSKESFDADGQPAQLLEVASIDPGGSAAAPQAPGQAGQGGASGAASDTFRTGIVLVVDTSVSMQPYIDRVREVIDGLQRQIGERGDLDKVSFGLVGFRNNTDKTPGLEYVSKTLVPLQPGNDAQRFAELSSQVRATDVSSHSFNEDAFAGIMQAVDEMDWSPYAGRVVLLVTDAGALRKNDPLGRTQMNEAEVRQAALRKGVKIYALHLRTPAGKNNHGYAEQQYRSLTADANPKIADLYIPVAGGEVNAFGNTVKEIGTVFADLVHDAGNRKPQAPRFDAAPSVASKSAAIGYAMQMEFLGRRDPVRAPQVVTAWTADRDLTNPALPAFQVCVLLSKLQLNELQQSLKLIVDAAKRTQTSPKDFFQEIASASAYMSRDPAQLVKGSNLAQSGVLGEYLEGLPYRSKSLNMTQDLWLSLSVAEQQDFIDELESKIRLYETFHNDVANWVRFGDADAGDALYRVPLSTLP
Complex: MIX_E_5(2FUM) / Model_2(2FUM/A) = [6.0] Download1507.4518.25MDIELPGFDIERELGEGAMATVYLATQRSLQRKVALKVMAAALAADPSFAERFLREGRTLARLSHPNTVTIHDIGNVGSCYYMAMEYLPNGTLKERIQQGLDPEQGLAYVRQVAAALGYAHSQGLVHRDVKPANILFRADGTAVLSDFGIAKSIEDNTQFTQVGFAVGTPSYMSPEQARGQEIDGRADLYALGVVLYEILTGKLPYNGKDSLSTALAHLTEPLPELPIEQGRYQDILRQLLAKDPAERFPTAGALIAALDRLAPSALEATQIRPLATPQGSPRASNPPPAEPAPLPPADLGGLQPVSIQLPPVTPSAGGATPPPPPPSQAAKPPSPPPPPLPPAKPRAGGSRTPLIAAAAAAVLLAIGGGAWWLLGSGDAPSAADPAPLGQTPADKPQQQTPVADAEQDGGERPLLMPGKKTLFQRVLTKPGAAISAEAGGPPRAGAVPAFSVLYVYARKQVGGSPWLRVGASSNGEGDGWLPASAVSDWKQSLVLKFTERSGRAPVMFLNSAEQVERLLGDTRAARDTLTQAVDHKGDPQVVAVEPNDRAIPQDQFYLLPIFDSKESFDADGQPAQLLEVASIDPGGSAAAPQAPGQAGQGGASGAASDTFRTGIVLVVDTSVSMQPYIDRVREVIDGLQRQIGERGDLDKVSFGLVGFRNNTDKTPGLEYVSKTLVPLQPGNDAQRFAELSSQVRATDVSSHSFNEDAFAGIMQAVDEMDWSPYAGRVVLLVTDAGALRKNDPLGRTQMNEAEVRQAALRKGVKIYALHLRTPAGKNNHGYAEQQYRSLTADANPKIADLYIPVAGGEVNAFGNTVKEIGTVFADLVHDAGNRKPQAPRFDAAPSVASKSAAIGYAMQMEFLGRRDPVRAPQVVTAWTADRDLTNPALPAFQVCVLLSKLQLNELQQSLKLIVDAAKRTQTSPKDFFQEIASASAYMSRDPAQLVKGSNLAQSGVLGEYLEGLPYRSKSLNMTQDLWLSLSVAEQQDFIDELESKIRLYETFHNDVANWVRFGDADAGDALYRVPLSTLP
Consensus
[pKd Mean = 5.75]
-1419
(s=87)
18
(s=1)
MDIELPGFDIERELGEGAMATVYLATQRSLQRKVALKVMAAALAADPSFAERFLREGRTLARLSHPNTVTIHDIGNVGSCYYMAMEYLPNGTLKERIQQGLDPEQGLAYVRQVAAALGYAHSQGLVHRDVKPANILFRADGTAVLSDFGIAKSIEDNTQFTQVGFAVGTPSYMSPEQARGQEIDGRADLYALGVVLYEILTGKLPYNGKDSLSTALAHLTEPLPELPIEQGRYQDILRQLLAKDPAERFPTAGALIAALDRLAPSALEATQIRPLATPQGSPRASNPPPAEPAPLPPADLGGLQPVSIQLPPVTPSAGGATPPPPPPSQAAKPPSPPPPPLPPAKPRAGGSRTPLIAAAAAAVLLAIGGGAWWLLGSGDAPSAADPAPLGQTPADKPQQQTPVADAEQDGGERPLLMPGKKTLFQRVLTKPGAAISAEAGGPPRAGAVPAFSVLYVYARKQVGGSPWLRVGASSNGEGDGWLPASAVSDWKQSLVLKFTERSGRAPVMFLNSAEQVERLLGDTRAARDTLTQAVDHKGDPQVVAVEPNDRAIPQDQFYLLPIFDSKESFDADGQPAQLLEVASIDPGGSAAAPQAPGQAGQGGASGAASDTFRTGIVLVVDTSVSMQPYIDRVREVIDGLQRQIGERGDLDKVSFGLVGFRNNTDKTPGLEYVSKTLVPLQPGNDAQRFAELSSQVRATDVSSHSFNEDAFAGIMQAVDEMDWSPYAGRVVLLVTDAGALRKNDPLGRTQMNEAEVRQAALRKGVKIYALHLRTPAGKNNHGYAEQQYRSLTADANPKIADLYIPVAGGEVNAFGNTVKEIGTVFADLVHDAGNRKPQAPRFDAAPSVASKSAAIGYAMQMEFLGRRDPVRAPQVVTAWTADRDLTNPALPAFQVCVLLSKLQLNELQQSLKLIVDAAKRTQTSPKDFFQEIASASAYMSRDPAQLVKGSNLAQSGVLGEYLEGLPYRSKSLNMTQDLWLSLSVAEQQDFIDELESKIRLYETFHNDVANWVRFGDADAGDALYRVPLSTLP