Study : bsu03670 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: OLA_A_15(4IKW) / Model_22(4IKW/A) = [3.2] Download821.0647.58MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAFYISMVLIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFPAMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL
Complex: OLA_A_13(4IKY) / Model_4(4IKY/A) = [3.5] Download744.8547.58MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAFYISMVLIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFPAMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL
Complex: OLA_A_11(4IKV) / Model_1(4IKV/A) = [3.5] Download529.9938.86MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAFYISMVLIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFPAMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL
Complex: OLA_A_15(4IKW) / Model_2(4IKW/A) = [3.8] Download810.7447.58MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAFYISMVLIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFPAMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL
Consensus
[pKd Mean = 3.50]		-726
(s=117)		45
(s=3)		MASIDNESIIKSVPQKGFFGHPRGLFTLFFTEFWERFSYYGMRAILLYYLYTETVNGGLGFDKGTAVAIMSIYGSLVYMSTIIGGWLADRVFGTANTVFYGGIFIMFGHIALAYPGSSIAFYISMVLIIVGTGLLKPNVSSVVGDLYTKEDPRRDSGFSIFYMGINLGGLLAPLIVGTLGQKYNYHLGFGAAAVGMLLGLIVFALTRKKNLGLAGSNVPNPLSKKSAIGTGIGVIIVAIAVIISVQTGVLTIKRFIDLVSILGILIPVIYFIIMFTSKKADKTEKSRLAAYVPLFIGAVMFWAIQEQGATILAVYADERIRLSLGGFELQSSWFQSLNPLFVVIFAPIFAWLWMKLGKRQPSTPVKFSIGIILAGLSFIIMVFPAMQGKEALVSPLWLVLSFLLVVLGELCLSPVGLSVTTKLAPAAFSAQTMSMWFLTNAAAQAINAQVAGLFDKIPETMYFGTIGLISIVLGGILLLLSPVIKRAMKGVL