Study : Rv1207 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: 0J4_B_8(4DAF) / Model_33(4DAF/B) = [3.1] Download760.546.21MRSTPPASAGRSTPPALAGHSTPPALAGHSTLCGRPVAGDRALIMAIVNRTPDSFYDKGATFSDAAARDAVHRAVADGADVIDVGGVKAGPGERVDVDTEITRLVPFIEWLRGAYPDQLISVDTWRAQVAKAACAAGADLINDTWGGVDPAMPEVAAEFGAGLVCAHTGGALPRTRPFRVSYGTTTRGVVDAVISQVTAAAERAVAAGVAREKVLIDPAHDFGKNTFHGLLLLRHVADLVMTGWPVLMALSNKDVVGETLGVDLTERLEGTLAATALAAAAGARMFRVHEVAATRRVLEMVASIQGVRPPTRTVRGLA
Complex: 0J4_A_3(4DAF) / Model_34(4DAF/A) = [3.1] Download716.6513.24MRSTPPASAGRSTPPALAGHSTPPALAGHSTLCGRPVAGDRALIMAIVNRTPDSFYDKGATFSDAAARDAVHRAVADGADVIDVGGVKAGPGERVDVDTEITRLVPFIEWLRGAYPDQLISVDTWRAQVAKAACAAGADLINDTWGGVDPAMPEVAAEFGAGLVCAHTGGALPRTRPFRVSYGTTTRGVVDAVISQVTAAAERAVAAGVAREKVLIDPAHDFGKNTFHGLLLLRHVADLVMTGWPVLMALSNKDVVGETLGVDLTERLEGTLAATALAAAAGARMFRVHEVAATRRVLEMVASIQGVRPPTRTVRGLA
Complex: Z25_B_8(4DB7) / Model_29(4DB7/B) = [3.1] Download1078.3415.96MRSTPPASAGRSTPPALAGHSTPPALAGHSTLCGRPVAGDRALIMAIVNRTPDSFYDKGATFSDAAARDAVHRAVADGADVIDVGGVKAGPGERVDVDTEITRLVPFIEWLRGAYPDQLISVDTWRAQVAKAACAAGADLINDTWGGVDPAMPEVAAEFGAGLVCAHTGGALPRTRPFRVSYGTTTRGVVDAVISQVTAAAERAVAAGVAREKVLIDPAHDFGKNTFHGLLLLRHVADLVMTGWPVLMALSNKDVVGETLGVDLTERLEGTLAATALAAAAGARMFRVHEVAATRRVLEMVASIQGVRPPTRTVRGLA
Complex: PMM_A_4(2VEG) / Model_81(2VEG/A) = [3.2] Download838.585.15MRSTPPASAGRSTPPALAGHSTPPALAGHSTLCGRPVAGDRALIMAIVNRTPDSFYDKGATFSDAAARDAVHRAVADGADVIDVGGVKAGPGERVDVDTEITRLVPFIEWLRGAYPDQLISVDTWRAQVAKAACAAGADLINDTWGGVDPAMPEVAAEFGAGLVCAHTGGALPRTRPFRVSYGTTTRGVVDAVISQVTAAAERAVAAGVAREKVLIDPAHDFGKNTFHGLLLLRHVADLVMTGWPVLMALSNKDVVGETLGVDLTERLEGTLAATALAAAAGARMFRVHEVAATRRVLEMVASIQGVRPPTRTVRGLA
Complex: PT1_B_4(3TYU) / Model_73(3TYU/B) = [3.2] Download1227.499.30MRSTPPASAGRSTPPALAGHSTPPALAGHSTLCGRPVAGDRALIMAIVNRTPDSFYDKGATFSDAAARDAVHRAVADGADVIDVGGVKAGPGERVDVDTEITRLVPFIEWLRGAYPDQLISVDTWRAQVAKAACAAGADLINDTWGGVDPAMPEVAAEFGAGLVCAHTGGALPRTRPFRVSYGTTTRGVVDAVISQVTAAAERAVAAGVAREKVLIDPAHDFGKNTFHGLLLLRHVADLVMTGWPVLMALSNKDVVGETLGVDLTERLEGTLAATALAAAAGARMFRVHEVAATRRVLEMVASIQGVRPPTRTVRGLA
Consensus
[pKd Mean = 3.14]
-924
(s=196)
9
(s=4)
MRSTPPASAGRSTPPALAGHSTPPALAGHSTLCGRPVAGDRALIMAIVNRTPDSFYDKGATFSDAAARDAVHRAVADGADVIDVGGVKAGPGERVDVDTEITRLVPFIEWLRGAYPDQLISVDTWRAQVAKAACAAGADLINDTWGGVDPAMPEVAAEFGAGLVCAHTGGALPRTRPFRVSYGTTTRGVVDAVISQVTAAAERAVAAGVAREKVLIDPAHDFGKNTFHGLLLLRHVADLVMTGWPVLMALSNKDVVGETLGVDLTERLEGTLAATALAAAAGARMFRVHEVAATRRVLEMVASIQGVRPPTRTVRGLA