Study : PA4909 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ADP_C_12(1G9X) / Model_21(1G9X/C) = [5.1] Download790.2923.94MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENLLMGTIPIGMDHAEEDMQRMFELFPRLKERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH
Complex: ATP_A_2(1JI0) / Model_1(1JI0/A) = [5.2] Download959.0123.30MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENLLMGTIPIGMDHAEEDMQRMFELFPRLKERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH
Complex: ATP_A_2(1JI0) / Model_58(1JI0/A) = [5.2] Download746.4323.30MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENLLMGTIPIGMDHAEEDMQRMFELFPRLKERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH
Complex: ADP_A_8(1G9X) / Model_4(1G9X/A) = [5.2] Download826.968.67MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENLLMGTIPIGMDHAEEDMQRMFELFPRLKERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH
Complex: ADP_B_10(1G9X) / Model_22(1G9X/B) = [6.0] Download1019.2320.75MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENLLMGTIPIGMDHAEEDMQRMFELFPRLKERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH
Consensus
[pKd Mean = 5.34]
-868
(s=103)
19
(s=5)
MSAALLEFREVDVFYGPIQALKKVSLQVNEGETVSLIGANGAGKSTLLMSIFGQPRAAAGQILYRGQDIRQKSAHYVASNGIAQSPEGRRVFPDMSVEENLLMGTIPIGMDHAEEDMQRMFELFPRLKERRNQRAMTMSGGEQQMLAIARALMSRPKLLLLDEPSLGLAPIVVKQIFQTLRELARSGMTIFLVEQNANHALKLSDRAYVMVTGEIRMSGSGEELLGNQEVRNAYLGGH