Study : PA0106 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: HEA_A_6(3HB3) / Model_2(3HB3/A) = [13.0] Download802.2834.03MSAVIDTPDHHAGDHHHGPAKGLMRWVLTTNHKDIGTLYLWFSFMMFLLGGSMAMVIRAELFQPGLQIVEPAFFNQMTTMHGLIMVFGAVMPAFVGLANWMIPLMIGAPDMALPRMNNFSFWLLPAAFGLLVSTLFMPGGGPNFGWTFYAPLSTTFAPHSVTFFIFAIHLAGISSIMGAINVIATILNLRAPGMTLMKMPLFVWTWLITAFLLIAVMPVLAGVVTMMLMDIHFGTSFFSAAGGGDPVLFQHVFWFFGHPEVYIMILPAFGAVSAIIPTFARKPLFGYTSMVYATASIAFLSFVVWAHHMFVVGIPVTGELFFMYATMLIAVPTGVKVFNWVTTMWEGSLTFETPMLFAVAFVILFTIGGFSGLMLAIAPADFQYHDTYFVVAHFHYVLVPGAIFGIFASAYYWLPKWTGHMYDETLGKLHFWMSFIGMNLAFFPMHFVGLAGMPRRIPDYNLQFADFNMVSSIGAFMFGTTQLLFLFIVIKCIRGGKPAPAKPWDGAEGLEWSIPSPAPYHTFSTPPEVK
Complex: HEA_A_11(1AR1) / Model_1(1AR1/A) = [13.9] Download754.2033.86MSAVIDTPDHHAGDHHHGPAKGLMRWVLTTNHKDIGTLYLWFSFMMFLLGGSMAMVIRAELFQPGLQIVEPAFFNQMTTMHGLIMVFGAVMPAFVGLANWMIPLMIGAPDMALPRMNNFSFWLLPAAFGLLVSTLFMPGGGPNFGWTFYAPLSTTFAPHSVTFFIFAIHLAGISSIMGAINVIATILNLRAPGMTLMKMPLFVWTWLITAFLLIAVMPVLAGVVTMMLMDIHFGTSFFSAAGGGDPVLFQHVFWFFGHPEVYIMILPAFGAVSAIIPTFARKPLFGYTSMVYATASIAFLSFVVWAHHMFVVGIPVTGELFFMYATMLIAVPTGVKVFNWVTTMWEGSLTFETPMLFAVAFVILFTIGGFSGLMLAIAPADFQYHDTYFVVAHFHYVLVPGAIFGIFASAYYWLPKWTGHMYDETLGKLHFWMSFIGMNLAFFPMHFVGLAGMPRRIPDYNLQFADFNMVSSIGAFMFGTTQLLFLFIVIKCIRGGKPAPAKPWDGAEGLEWSIPSPAPYHTFSTPPEVK
Complex: HEA_A_11(1AR1) / Model_82(1AR1/A) = [13.9] Download640.5433.86MSAVIDTPDHHAGDHHHGPAKGLMRWVLTTNHKDIGTLYLWFSFMMFLLGGSMAMVIRAELFQPGLQIVEPAFFNQMTTMHGLIMVFGAVMPAFVGLANWMIPLMIGAPDMALPRMNNFSFWLLPAAFGLLVSTLFMPGGGPNFGWTFYAPLSTTFAPHSVTFFIFAIHLAGISSIMGAINVIATILNLRAPGMTLMKMPLFVWTWLITAFLLIAVMPVLAGVVTMMLMDIHFGTSFFSAAGGGDPVLFQHVFWFFGHPEVYIMILPAFGAVSAIIPTFARKPLFGYTSMVYATASIAFLSFVVWAHHMFVVGIPVTGELFFMYATMLIAVPTGVKVFNWVTTMWEGSLTFETPMLFAVAFVILFTIGGFSGLMLAIAPADFQYHDTYFVVAHFHYVLVPGAIFGIFASAYYWLPKWTGHMYDETLGKLHFWMSFIGMNLAFFPMHFVGLAGMPRRIPDYNLQFADFNMVSSIGAFMFGTTQLLFLFIVIKCIRGGKPAPAKPWDGAEGLEWSIPSPAPYHTFSTPPEVK
Consensus
[pKd Mean = 13.60]
-732
(s=67)
33
(s=0)
MSAVIDTPDHHAGDHHHGPAKGLMRWVLTTNHKDIGTLYLWFSFMMFLLGGSMAMVIRAELFQPGLQIVEPAFFNQMTTMHGLIMVFGAVMPAFVGLANWMIPLMIGAPDMALPRMNNFSFWLLPAAFGLLVSTLFMPGGGPNFGWTFYAPLSTTFAPHSVTFFIFAIHLAGISSIMGAINVIATILNLRAPGMTLMKMPLFVWTWLITAFLLIAVMPVLAGVVTMMLMDIHFGTSFFSAAGGGDPVLFQHVFWFFGHPEVYIMILPAFGAVSAIIPTFARKPLFGYTSMVYATASIAFLSFVVWAHHMFVVGIPVTGELFFMYATMLIAVPTGVKVFNWVTTMWEGSLTFETPMLFAVAFVILFTIGGFSGLMLAIAPADFQYHDTYFVVAHFHYVLVPGAIFGIFASAYYWLPKWTGHMYDETLGKLHFWMSFIGMNLAFFPMHFVGLAGMPRRIPDYNLQFADFNMVSSIGAFMFGTTQLLFLFIVIKCIRGGKPAPAKPWDGAEGLEWSIPSPAPYHTFSTPPEVK