Study : jhp_1174 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: TRP_A_3(2G36) / Model_20(2G36/A) = [3.9] Download1715.7845.18MQKKRVFSGIQPTGQIHLGNYLGAIKHWVELQDEYENLFCIVNSHAITLPIEPIFLKSQTYELVKLLLACGISPKQSGLFIQSEVDEHPALAWLLDCQVSMGEMQRMTQFKDKSLKNPKSVNVGLFNYPILMASDILLYQSDLVPVGEDQKQHLELTRNVAEKFNRDFGNCFKVPEPLIAKVGARVMGLDDPKVKMSKSHKGANHAIFLLDEPDVIVKKIKKAATDSMGVIAFDETREGVFNLLNIYMLLSDESPEKIEERFRNKGYGDFKKELAEVVIQSLKPIQERYQEISDDEVKAVLNCGAEKARPLARATYQKAKELMGLI
Complex: TRP_A_3(2G36) / Model_42(2G36/A) = [3.9] Download1655.9544.23MQKKRVFSGIQPTGQIHLGNYLGAIKHWVELQDEYENLFCIVNSHAITLPIEPIFLKSQTYELVKLLLACGISPKQSGLFIQSEVDEHPALAWLLDCQVSMGEMQRMTQFKDKSLKNPKSVNVGLFNYPILMASDILLYQSDLVPVGEDQKQHLELTRNVAEKFNRDFGNCFKVPEPLIAKVGARVMGLDDPKVKMSKSHKGANHAIFLLDEPDVIVKKIKKAATDSMGVIAFDETREGVFNLLNIYMLLSDESPEKIEERFRNKGYGDFKKELAEVVIQSLKPIQERYQEISDDEVKAVLNCGAEKARPLARATYQKAKELMGLI
Complex: TRP_A_2(3SZ3) / Model_13(3SZ3/A) = [4.2] Download1498.6942.00MQKKRVFSGIQPTGQIHLGNYLGAIKHWVELQDEYENLFCIVNSHAITLPIEPIFLKSQTYELVKLLLACGISPKQSGLFIQSEVDEHPALAWLLDCQVSMGEMQRMTQFKDKSLKNPKSVNVGLFNYPILMASDILLYQSDLVPVGEDQKQHLELTRNVAEKFNRDFGNCFKVPEPLIAKVGARVMGLDDPKVKMSKSHKGANHAIFLLDEPDVIVKKIKKAATDSMGVIAFDETREGVFNLLNIYMLLSDESPEKIEERFRNKGYGDFKKELAEVVIQSLKPIQERYQEISDDEVKAVLNCGAEKARPLARATYQKAKELMGLI
Complex: TRP_A_2(3SZ3) / Model_38(3SZ3/A) = [4.2] Download1545.6042.00MQKKRVFSGIQPTGQIHLGNYLGAIKHWVELQDEYENLFCIVNSHAITLPIEPIFLKSQTYELVKLLLACGISPKQSGLFIQSEVDEHPALAWLLDCQVSMGEMQRMTQFKDKSLKNPKSVNVGLFNYPILMASDILLYQSDLVPVGEDQKQHLELTRNVAEKFNRDFGNCFKVPEPLIAKVGARVMGLDDPKVKMSKSHKGANHAIFLLDEPDVIVKKIKKAATDSMGVIAFDETREGVFNLLNIYMLLSDESPEKIEERFRNKGYGDFKKELAEVVIQSLKPIQERYQEISDDEVKAVLNCGAEKARPLARATYQKAKELMGLI
Complex: ADP_A_3(3TZL) / Model_19(3TZL/A) = [5.4] Download1370.3620.26MQKKRVFSGIQPTGQIHLGNYLGAIKHWVELQDEYENLFCIVNSHAITLPIEPIFLKSQTYELVKLLLACGISPKQSGLFIQSEVDEHPALAWLLDCQVSMGEMQRMTQFKDKSLKNPKSVNVGLFNYPILMASDILLYQSDLVPVGEDQKQHLELTRNVAEKFNRDFGNCFKVPEPLIAKVGARVMGLDDPKVKMSKSHKGANHAIFLLDEPDVIVKKIKKAATDSMGVIAFDETREGVFNLLNIYMLLSDESPEKIEERFRNKGYGDFKKELAEVVIQSLKPIQERYQEISDDEVKAVLNCGAEKARPLARATYQKAKELMGLI
Consensus
[pKd Mean = 4.32]		-1557
(s=121)		38
(s=9)		MQKKRVFSGIQPTGQIHLGNYLGAIKHWVELQDEYENLFCIVNSHAITLPIEPIFLKSQTYELVKLLLACGISPKQSGLFIQSEVDEHPALAWLLDCQVSMGEMQRMTQFKDKSLKNPKSVNVGLFNYPILMASDILLYQSDLVPVGEDQKQHLELTRNVAEKFNRDFGNCFKVPEPLIAKVGARVMGLDDPKVKMSKSHKGANHAIFLLDEPDVIVKKIKKAATDSMGVIAFDETREGVFNLLNIYMLLSDESPEKIEERFRNKGYGDFKKELAEVVIQSLKPIQERYQEISDDEVKAVLNCGAEKARPLARATYQKAKELMGLI