Study : PA1865 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: NACID_S_3(4RI9) / Model_6(4RI9/A) = [3.5] Download--MHEQYQAPLPVNSPALPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYVRWHVDD
Complex: NACID_W_6(4RI9) / Model_15(4RI9/B) = [3.5] Download--MHEQYQAPLPVNSPALPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYVRWHVDD
Complex: NACID_L_6(4RIA) / Model_13(4RIA/B) = [3.5] Download--MHEQYQAPLPVNSPALPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYVRWHVDD
Complex: NACID_F_3(4RIA) / Model_5(4RIA/A) = [3.5] Download--MHEQYQAPLPVNSPALPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYVRWHVDD
Complex: NACID_D_4(4R89) / Model_1(4R89/A) = [6.6] Download--MHEQYQAPLPVNSPALPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYVRWHVDD
Consensus
[pKd Mean = 4.12]
-0
(s=0)
0
(s=0)
MHEQYQAPLPVNSPALPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQRDFDLAQRLYRQSSHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYVRWHVDD