Study : PA4425 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: M7P_B_3(1X92) / Model_21(1X92/B) = [3.4] Download991.607.40MDMQHRIRQLFQASIETKQQALEVLPPYIEQASLVMVNALLNEGKILSCGNGGSAGDAQHFSSELLNRFERERPSLPAVALTTDSSTITSIANDYSYNEVFSKQIRALGQPGDVLLAISTSGNSANVIQAIQAAHDREMLVVALTGRDGGGMASLLLPEDVEIRVPSKITARIQEVHLLAIHCLCDLIDRQLFGSEE
Complex: M7P_A_4(1X92) / Model_40(1X92/A) = [3.4] Download774.968.80MDMQHRIRQLFQASIETKQQALEVLPPYIEQASLVMVNALLNEGKILSCGNGGSAGDAQHFSSELLNRFERERPSLPAVALTTDSSTITSIANDYSYNEVFSKQIRALGQPGDVLLAISTSGNSANVIQAIQAAHDREMLVVALTGRDGGGMASLLLPEDVEIRVPSKITARIQEVHLLAIHCLCDLIDRQLFGSEE
Complex: M7P_C_11(2XBL) / Model_36(2XBL/C) = [4.0] Download1010.8719.79MDMQHRIRQLFQASIETKQQALEVLPPYIEQASLVMVNALLNEGKILSCGNGGSAGDAQHFSSELLNRFERERPSLPAVALTTDSSTITSIANDYSYNEVFSKQIRALGQPGDVLLAISTSGNSANVIQAIQAAHDREMLVVALTGRDGGGMASLLLPEDVEIRVPSKITARIQEVHLLAIHCLCDLIDRQLFGSEE
Complex: M7P_A_6(2XBL) / Model_45(2XBL/A) = [4.0] Download836.6219.79MDMQHRIRQLFQASIETKQQALEVLPPYIEQASLVMVNALLNEGKILSCGNGGSAGDAQHFSSELLNRFERERPSLPAVALTTDSSTITSIANDYSYNEVFSKQIRALGQPGDVLLAISTSGNSANVIQAIQAAHDREMLVVALTGRDGGGMASLLLPEDVEIRVPSKITARIQEVHLLAIHCLCDLIDRQLFGSEE
Complex: M7P_A_6(2XBL) / Model_9(2XBL/A) = [4.0] Download1038.9719.79MDMQHRIRQLFQASIETKQQALEVLPPYIEQASLVMVNALLNEGKILSCGNGGSAGDAQHFSSELLNRFERERPSLPAVALTTDSSTITSIANDYSYNEVFSKQIRALGQPGDVLLAISTSGNSANVIQAIQAAHDREMLVVALTGRDGGGMASLLLPEDVEIRVPSKITARIQEVHLLAIHCLCDLIDRQLFGSEE
Consensus
[pKd Mean = 3.76]
-930
(s=104)
15
(s=5)
MDMQHRIRQLFQASIETKQQALEVLPPYIEQASLVMVNALLNEGKILSCGNGGSAGDAQHFSSELLNRFERERPSLPAVALTTDSSTITSIANDYSYNEVFSKQIRALGQPGDVLLAISTSGNSANVIQAIQAAHDREMLVVALTGRDGGGMASLLLPEDVEIRVPSKITARIQEVHLLAIHCLCDLIDRQLFGSEE