Study : X_NR3C1_GCR (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: AS4_D_4(2AA2) / Model_58(2AA2/A) = [4.3] Download607.4855.24MDPKDLLKPSSGSPAVRGSPHYNDKPGNVIEFFGNYRGGVSVSVSASCPTSTASQSNTRQQQHFQKQLTATGDSTNGLNNNVPQPDLSKAVSLSMGLYMGESDTKVMSSDIAFPSQEQIGISTGETDFSLLEESIANLQAKSLAPDKLIEISEDPGGFKCDISAQPRPSMGQGGSNGSSSTNLFPKDQCTFDLLRDLGISPDSPLDGKSNPWLDPLFDEQEAFNLLSPLGTGDPFFMKSEVLSEGSKTLSLEDGTQRLGDHAKDMLLPSADRPISQVKTEKEDYIELCTPGVVNEEKFGPVYCVGNFSGSGLFGNKSSAISVHGVSTSGGQMYHYDLNTATISQQDVKPVFNLGSPGTSIAEGWNRCHGSGNDTAASPGNVNFPNRSVFSNGYSSPGIRSDASPSPSTSSTSTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQSTTATARESPETSMTRTLVPASVAQLTPTLISLLEVIEPEVLYSGYDSSIPDTTRRLMSSLNMLGGRQVVSAVRWAKAIPGFRNLHLDDQMTLLQYSWMFLMVFALGWRSYKQTNGSILYFAPDLVITEDRMHLPFMQERCQEMLKIAGEMSSLQISYDEYLCMKVLLLMCTIPKEGLKSHALFEEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVAENLLAFCFLSFLDKSMSIEFPDMLSEIISNQIPKYSSGNLKKLLFHQK
Complex: HFT_A_3(4OJ9) / Model_108(4OJ9/A) = [4.5] Download478.4757.83MDPKDLLKPSSGSPAVRGSPHYNDKPGNVIEFFGNYRGGVSVSVSASCPTSTASQSNTRQQQHFQKQLTATGDSTNGLNNNVPQPDLSKAVSLSMGLYMGESDTKVMSSDIAFPSQEQIGISTGETDFSLLEESIANLQAKSLAPDKLIEISEDPGGFKCDISAQPRPSMGQGGSNGSSSTNLFPKDQCTFDLLRDLGISPDSPLDGKSNPWLDPLFDEQEAFNLLSPLGTGDPFFMKSEVLSEGSKTLSLEDGTQRLGDHAKDMLLPSADRPISQVKTEKEDYIELCTPGVVNEEKFGPVYCVGNFSGSGLFGNKSSAISVHGVSTSGGQMYHYDLNTATISQQDVKPVFNLGSPGTSIAEGWNRCHGSGNDTAASPGNVNFPNRSVFSNGYSSPGIRSDASPSPSTSSTSTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQSTTATARESPETSMTRTLVPASVAQLTPTLISLLEVIEPEVLYSGYDSSIPDTTRRLMSSLNMLGGRQVVSAVRWAKAIPGFRNLHLDDQMTLLQYSWMFLMVFALGWRSYKQTNGSILYFAPDLVITEDRMHLPFMQERCQEMLKIAGEMSSLQISYDEYLCMKVLLLMCTIPKEGLKSHALFEEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVAENLLAFCFLSFLDKSMSIEFPDMLSEIISNQIPKYSSGNLKKLLFHQK
Complex: STR_B_4(2AA5) / Model_56(2AA5/B) = [4.8] Download548.2653.12MDPKDLLKPSSGSPAVRGSPHYNDKPGNVIEFFGNYRGGVSVSVSASCPTSTASQSNTRQQQHFQKQLTATGDSTNGLNNNVPQPDLSKAVSLSMGLYMGESDTKVMSSDIAFPSQEQIGISTGETDFSLLEESIANLQAKSLAPDKLIEISEDPGGFKCDISAQPRPSMGQGGSNGSSSTNLFPKDQCTFDLLRDLGISPDSPLDGKSNPWLDPLFDEQEAFNLLSPLGTGDPFFMKSEVLSEGSKTLSLEDGTQRLGDHAKDMLLPSADRPISQVKTEKEDYIELCTPGVVNEEKFGPVYCVGNFSGSGLFGNKSSAISVHGVSTSGGQMYHYDLNTATISQQDVKPVFNLGSPGTSIAEGWNRCHGSGNDTAASPGNVNFPNRSVFSNGYSSPGIRSDASPSPSTSSTSTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQSTTATARESPETSMTRTLVPASVAQLTPTLISLLEVIEPEVLYSGYDSSIPDTTRRLMSSLNMLGGRQVVSAVRWAKAIPGFRNLHLDDQMTLLQYSWMFLMVFALGWRSYKQTNGSILYFAPDLVITEDRMHLPFMQERCQEMLKIAGEMSSLQISYDEYLCMKVLLLMCTIPKEGLKSHALFEEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVAENLLAFCFLSFLDKSMSIEFPDMLSEIISNQIPKYSSGNLKKLLFHQK
Complex: SNL_A_4(2AB2) / Model_49(2AB2/A) = [4.9] Download598.4451.46MDPKDLLKPSSGSPAVRGSPHYNDKPGNVIEFFGNYRGGVSVSVSASCPTSTASQSNTRQQQHFQKQLTATGDSTNGLNNNVPQPDLSKAVSLSMGLYMGESDTKVMSSDIAFPSQEQIGISTGETDFSLLEESIANLQAKSLAPDKLIEISEDPGGFKCDISAQPRPSMGQGGSNGSSSTNLFPKDQCTFDLLRDLGISPDSPLDGKSNPWLDPLFDEQEAFNLLSPLGTGDPFFMKSEVLSEGSKTLSLEDGTQRLGDHAKDMLLPSADRPISQVKTEKEDYIELCTPGVVNEEKFGPVYCVGNFSGSGLFGNKSSAISVHGVSTSGGQMYHYDLNTATISQQDVKPVFNLGSPGTSIAEGWNRCHGSGNDTAASPGNVNFPNRSVFSNGYSSPGIRSDASPSPSTSSTSTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQSTTATARESPETSMTRTLVPASVAQLTPTLISLLEVIEPEVLYSGYDSSIPDTTRRLMSSLNMLGGRQVVSAVRWAKAIPGFRNLHLDDQMTLLQYSWMFLMVFALGWRSYKQTNGSILYFAPDLVITEDRMHLPFMQERCQEMLKIAGEMSSLQISYDEYLCMKVLLLMCTIPKEGLKSHALFEEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVAENLLAFCFLSFLDKSMSIEFPDMLSEIISNQIPKYSSGNLKKLLFHQK
Complex: HFT_B_2(2AX6) / Model_115(2AX6/A) = [5.0] Download583.9755.42MDPKDLLKPSSGSPAVRGSPHYNDKPGNVIEFFGNYRGGVSVSVSASCPTSTASQSNTRQQQHFQKQLTATGDSTNGLNNNVPQPDLSKAVSLSMGLYMGESDTKVMSSDIAFPSQEQIGISTGETDFSLLEESIANLQAKSLAPDKLIEISEDPGGFKCDISAQPRPSMGQGGSNGSSSTNLFPKDQCTFDLLRDLGISPDSPLDGKSNPWLDPLFDEQEAFNLLSPLGTGDPFFMKSEVLSEGSKTLSLEDGTQRLGDHAKDMLLPSADRPISQVKTEKEDYIELCTPGVVNEEKFGPVYCVGNFSGSGLFGNKSSAISVHGVSTSGGQMYHYDLNTATISQQDVKPVFNLGSPGTSIAEGWNRCHGSGNDTAASPGNVNFPNRSVFSNGYSSPGIRSDASPSPSTSSTSTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQSTTATARESPETSMTRTLVPASVAQLTPTLISLLEVIEPEVLYSGYDSSIPDTTRRLMSSLNMLGGRQVVSAVRWAKAIPGFRNLHLDDQMTLLQYSWMFLMVFALGWRSYKQTNGSILYFAPDLVITEDRMHLPFMQERCQEMLKIAGEMSSLQISYDEYLCMKVLLLMCTIPKEGLKSHALFEEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVAENLLAFCFLSFLDKSMSIEFPDMLSEIISNQIPKYSSGNLKKLLFHQK
Consensus
[pKd Mean = 4.70]
-563
(s=46)
54
(s=2)
MDPKDLLKPSSGSPAVRGSPHYNDKPGNVIEFFGNYRGGVSVSVSASCPTSTASQSNTRQQQHFQKQLTATGDSTNGLNNNVPQPDLSKAVSLSMGLYMGESDTKVMSSDIAFPSQEQIGISTGETDFSLLEESIANLQAKSLAPDKLIEISEDPGGFKCDISAQPRPSMGQGGSNGSSSTNLFPKDQCTFDLLRDLGISPDSPLDGKSNPWLDPLFDEQEAFNLLSPLGTGDPFFMKSEVLSEGSKTLSLEDGTQRLGDHAKDMLLPSADRPISQVKTEKEDYIELCTPGVVNEEKFGPVYCVGNFSGSGLFGNKSSAISVHGVSTSGGQMYHYDLNTATISQQDVKPVFNLGSPGTSIAEGWNRCHGSGNDTAASPGNVNFPNRSVFSNGYSSPGIRSDASPSPSTSSTSTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQSTTATARESPETSMTRTLVPASVAQLTPTLISLLEVIEPEVLYSGYDSSIPDTTRRLMSSLNMLGGRQVVSAVRWAKAIPGFRNLHLDDQMTLLQYSWMFLMVFALGWRSYKQTNGSILYFAPDLVITEDRMHLPFMQERCQEMLKIAGEMSSLQISYDEYLCMKVLLLMCTIPKEGLKSHALFEEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVAENLLAFCFLSFLDKSMSIEFPDMLSEIISNQIPKYSSGNLKKLLFHQK