Study : Rv0694 (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: FMN_F_6(1HUV) / Model_10(1HUV/A) = [9.5] Download787.9923.74MAEAWFETVAIAQQRAKRRLPKSVYSSLIAASEKGITVADNVAAFSELGFAPHVIGATDKRDLSTTVMGQEVSLPVIISPTGVQAVDPGGEVAVARAAAARGTVMGLSSFASKPIEEVIAANPKTFFQVYWQGGRDALAERVERARQAGAVGLVVTTDWTFSHGRDWGSPKIPEEMNLKTILRLSPEAITRPRWLWKFAKTLRPPDLRVPNQGRRGEPGPPFFAAYGEWMATPPPTWEDIGWLRELWGGPFMLKGVMRVDDAKRAVDAGVSAISVSNHGGNNLDGTPASIRALPAVSAAVGDQVEVLLDGGIRRGSDVVKAVALGARAVMIGRAYLWGLAANGQAGVENVLDILRGGIDSALMGLGHASVHDLSPADILVPTGFIRDLGVPSRRDV
Complex: FMN_E_5(1AL8) / Model_7(1AL8/A) = [9.7] Download828.4022.35MAEAWFETVAIAQQRAKRRLPKSVYSSLIAASEKGITVADNVAAFSELGFAPHVIGATDKRDLSTTVMGQEVSLPVIISPTGVQAVDPGGEVAVARAAAARGTVMGLSSFASKPIEEVIAANPKTFFQVYWQGGRDALAERVERARQAGAVGLVVTTDWTFSHGRDWGSPKIPEEMNLKTILRLSPEAITRPRWLWKFAKTLRPPDLRVPNQGRRGEPGPPFFAAYGEWMATPPPTWEDIGWLRELWGGPFMLKGVMRVDDAKRAVDAGVSAISVSNHGGNNLDGTPASIRALPAVSAAVGDQVEVLLDGGIRRGSDVVKAVALGARAVMIGRAYLWGLAANGQAGVENVLDILRGGIDSALMGLGHASVHDLSPADILVPTGFIRDLGVPSRRDV
Complex: FMN_E_5(2A85) / Model_15(2A85/A) = [9.7] Download763.7223.74MAEAWFETVAIAQQRAKRRLPKSVYSSLIAASEKGITVADNVAAFSELGFAPHVIGATDKRDLSTTVMGQEVSLPVIISPTGVQAVDPGGEVAVARAAAARGTVMGLSSFASKPIEEVIAANPKTFFQVYWQGGRDALAERVERARQAGAVGLVVTTDWTFSHGRDWGSPKIPEEMNLKTILRLSPEAITRPRWLWKFAKTLRPPDLRVPNQGRRGEPGPPFFAAYGEWMATPPPTWEDIGWLRELWGGPFMLKGVMRVDDAKRAVDAGVSAISVSNHGGNNLDGTPASIRALPAVSAAVGDQVEVLLDGGIRRGSDVVKAVALGARAVMIGRAYLWGLAANGQAGVENVLDILRGGIDSALMGLGHASVHDLSPADILVPTGFIRDLGVPSRRDV
Complex: FMN_I_9(1P4C) / Model_119(1P4C/A) = [9.9] Download841.4924.82MAEAWFETVAIAQQRAKRRLPKSVYSSLIAASEKGITVADNVAAFSELGFAPHVIGATDKRDLSTTVMGQEVSLPVIISPTGVQAVDPGGEVAVARAAAARGTVMGLSSFASKPIEEVIAANPKTFFQVYWQGGRDALAERVERARQAGAVGLVVTTDWTFSHGRDWGSPKIPEEMNLKTILRLSPEAITRPRWLWKFAKTLRPPDLRVPNQGRRGEPGPPFFAAYGEWMATPPPTWEDIGWLRELWGGPFMLKGVMRVDDAKRAVDAGVSAISVSNHGGNNLDGTPASIRALPAVSAAVGDQVEVLLDGGIRRGSDVVKAVALGARAVMIGRAYLWGLAANGQAGVENVLDILRGGIDSALMGLGHASVHDLSPADILVPTGFIRDLGVPSRRDV
Complex: FMN_E_5(2A7P) / Model_14(2A7P/A) = [9.9] Download726.8523.74MAEAWFETVAIAQQRAKRRLPKSVYSSLIAASEKGITVADNVAAFSELGFAPHVIGATDKRDLSTTVMGQEVSLPVIISPTGVQAVDPGGEVAVARAAAARGTVMGLSSFASKPIEEVIAANPKTFFQVYWQGGRDALAERVERARQAGAVGLVVTTDWTFSHGRDWGSPKIPEEMNLKTILRLSPEAITRPRWLWKFAKTLRPPDLRVPNQGRRGEPGPPFFAAYGEWMATPPPTWEDIGWLRELWGGPFMLKGVMRVDDAKRAVDAGVSAISVSNHGGNNLDGTPASIRALPAVSAAVGDQVEVLLDGGIRRGSDVVKAVALGARAVMIGRAYLWGLAANGQAGVENVLDILRGGIDSALMGLGHASVHDLSPADILVPTGFIRDLGVPSRRDV
Consensus
[pKd Mean = 9.74]
-789
(s=41)
23
(s=1)
MAEAWFETVAIAQQRAKRRLPKSVYSSLIAASEKGITVADNVAAFSELGFAPHVIGATDKRDLSTTVMGQEVSLPVIISPTGVQAVDPGGEVAVARAAAARGTVMGLSSFASKPIEEVIAANPKTFFQVYWQGGRDALAERVERARQAGAVGLVVTTDWTFSHGRDWGSPKIPEEMNLKTILRLSPEAITRPRWLWKFAKTLRPPDLRVPNQGRRGEPGPPFFAAYGEWMATPPPTWEDIGWLRELWGGPFMLKGVMRVDDAKRAVDAGVSAISVSNHGGNNLDGTPASIRALPAVSAAVGDQVEVLLDGGIRRGSDVVKAVALGARAVMIGRAYLWGLAANGQAGVENVLDILRGGIDSALMGLGHASVHDLSPADILVPTGFIRDLGVPSRRDV