Study : PA2912 (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_A_5(2Q0H) / Model_17(2Q0H/A) = [3.3] Download686.92-0.93MSSLHLDALHWSPDASTELLRGVHLEVPAGSFVGLIGPNGSGKTSLLRCAFRYARPQRGRVVLDGDDLWRQPPRWAARRIAVVLQEFPEDFGLAVEDVVAMGRTPHKGLFDGHGADDRQRVRQALLQVGLEGRAASPFASLSGGEKQRALLARALVQEPRLLILDEPTNHLDPRYQLELLRLLRSLGLSTLASFHDLNLAAAFCDRLYVLDGGRIVAQGTPTEVLDADLLWRVFGVRALVDRHPLADHPRLTWITQA
Complex: AT4_A_5(2OLK) / Model_15(2OLK/A) = [3.5] Download1211.79-4.53MSSLHLDALHWSPDASTELLRGVHLEVPAGSFVGLIGPNGSGKTSLLRCAFRYARPQRGRVVLDGDDLWRQPPRWAARRIAVVLQEFPEDFGLAVEDVVAMGRTPHKGLFDGHGADDRQRVRQALLQVGLEGRAASPFASLSGGEKQRALLARALVQEPRLLILDEPTNHLDPRYQLELLRLLRSLGLSTLASFHDLNLAAAFCDRLYVLDGGRIVAQGTPTEVLDADLLWRVFGVRALVDRHPLADHPRLTWITQA
Complex: ADP_A_3(3TIF) / Model_71(3TIF/A) = [3.9] Download637.20-0.53MSSLHLDALHWSPDASTELLRGVHLEVPAGSFVGLIGPNGSGKTSLLRCAFRYARPQRGRVVLDGDDLWRQPPRWAARRIAVVLQEFPEDFGLAVEDVVAMGRTPHKGLFDGHGADDRQRVRQALLQVGLEGRAASPFASLSGGEKQRALLARALVQEPRLLILDEPTNHLDPRYQLELLRLLRSLGLSTLASFHDLNLAAAFCDRLYVLDGGRIVAQGTPTEVLDADLLWRVFGVRALVDRHPLADHPRLTWITQA
Complex: ATP_A_6(4YMV) / Model_22(4YMV/A) = [4.1] Download974.711.63MSSLHLDALHWSPDASTELLRGVHLEVPAGSFVGLIGPNGSGKTSLLRCAFRYARPQRGRVVLDGDDLWRQPPRWAARRIAVVLQEFPEDFGLAVEDVVAMGRTPHKGLFDGHGADDRQRVRQALLQVGLEGRAASPFASLSGGEKQRALLARALVQEPRLLILDEPTNHLDPRYQLELLRLLRSLGLSTLASFHDLNLAAAFCDRLYVLDGGRIVAQGTPTEVLDADLLWRVFGVRALVDRHPLADHPRLTWITQA
Complex: ATP_A_5(1L2T) / Model_63(1L2T/A) = [4.3] Download714.81-0.53MSSLHLDALHWSPDASTELLRGVHLEVPAGSFVGLIGPNGSGKTSLLRCAFRYARPQRGRVVLDGDDLWRQPPRWAARRIAVVLQEFPEDFGLAVEDVVAMGRTPHKGLFDGHGADDRQRVRQALLQVGLEGRAASPFASLSGGEKQRALLARALVQEPRLLILDEPTNHLDPRYQLELLRLLRSLGLSTLASFHDLNLAAAFCDRLYVLDGGRIVAQGTPTEVLDADLLWRVFGVRALVDRHPLADHPRLTWITQA
Consensus
[pKd Mean = 3.82]
-845
(s=217)
0
(s=2)
MSSLHLDALHWSPDASTELLRGVHLEVPAGSFVGLIGPNGSGKTSLLRCAFRYARPQRGRVVLDGDDLWRQPPRWAARRIAVVLQEFPEDFGLAVEDVVAMGRTPHKGLFDGHGADDRQRVRQALLQVGLEGRAASPFASLSGGEKQRALLARALVQEPRLLILDEPTNHLDPRYQLELLRLLRSLGLSTLASFHDLNLAAAFCDRLYVLDGGRIVAQGTPTEVLDADLLWRVFGVRALVDRHPLADHPRLTWITQA