Study : bsu16400 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: GDP_D_17(4C7O) / Model_32(4C7O/C) = [3.8] Download1245.103.91MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
Complex: CHAIN_H_8(3SYN) / Model_22(3SYN/C) = [3.8] Download--MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
Complex: GDP_B_11(4C7O) / Model_7(4C7O/A) = [4.2] Download1493.881.25MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
Complex: GCP_B_6(1RJ9) / Model_59(1RJ9/A) = [4.4] Download1215.2018.07MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
Complex: CHAIN_E_5(3SYN) / Model_3(3SYN/A) = [5.1] Download--MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR
Consensus
[pKd Mean = 4.26]
-1318
(s=124)
7
(s=7)
MKIKKFTAASMQEAALLIRKELGNEAVILNSKKIKKRKWFGLVNKPAVEVIAVLDQDFLEKKTPQKAAEPKQTLKTPVSSPKIEERTYPPQIPAQQELGDFSAYQSVLPEPLRKAEKLLQETGIKESTKTNTLKKLLRFSVEAGGLTEENVVGKLQEILCDMLPSADKWQEPIHSKYIVLFGSTGAGKTTTLAKLAAISMLEKHKKIAFITTDTYRIAAVEQLKTYAELLQAPLEVCYTKEEFQQAKELFSEYDHVFVDTAGRNFKDPQYIDELKETIPFESSIQSFLVLSATAKYEDMKHIVKRFSSVPVNQYIFTKIDETTSLGSVFNILAESKIGVGFMTNGQNVPEDIQTVSPLGFVRMLCR