Study : Rv0869c (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: SF4_B_9(1TV8) / Model_22(1TV8/B) = [3.3] Download278.3311.20MTLTALGMPALRSRTNGIADPRVVPTTGPLVDTFGRVANDLRVSLTDRCNLRCSYCMPERGLRWLPGEQLLRPDELARLIHIAVTRLGVTSVRFTGGEPLLAHHLDEVVAATARLRPRPEISLTTNGVGLARRAGALAEAGLDRVNVSLDSIDRAHFAAITRRDRLAHVLAGLAAAKAAGLTPVKVNAVLDPTTGREDVVDLLRFCLERGYQLRVIEQMPLDAGHSWRRNIALSADDVLAALRPHFRLRPDPAPRGSAPAELWLVDAGPNTPRGRFGVIASVSHAFCSTCDRTRLTADGQIRSCLFSTEETDLRRLLRGGADDDAIEAAWRAAMWSKPAGHGINAPDFIQPDRPMSAIGG
Complex: SF4_B_12(2FB3) / Model_21(2FB3/B) = [3.4] Download359.2514.07MTLTALGMPALRSRTNGIADPRVVPTTGPLVDTFGRVANDLRVSLTDRCNLRCSYCMPERGLRWLPGEQLLRPDELARLIHIAVTRLGVTSVRFTGGEPLLAHHLDEVVAATARLRPRPEISLTTNGVGLARRAGALAEAGLDRVNVSLDSIDRAHFAAITRRDRLAHVLAGLAAAKAAGLTPVKVNAVLDPTTGREDVVDLLRFCLERGYQLRVIEQMPLDAGHSWRRNIALSADDVLAALRPHFRLRPDPAPRGSAPAELWLVDAGPNTPRGRFGVIASVSHAFCSTCDRTRLTADGQIRSCLFSTEETDLRRLLRGGADDDAIEAAWRAAMWSKPAGHGINAPDFIQPDRPMSAIGG
Complex: SF4_B_11(2FB3) / Model_21(2FB3/B) = [3.4] Download308.4615.25MTLTALGMPALRSRTNGIADPRVVPTTGPLVDTFGRVANDLRVSLTDRCNLRCSYCMPERGLRWLPGEQLLRPDELARLIHIAVTRLGVTSVRFTGGEPLLAHHLDEVVAATARLRPRPEISLTTNGVGLARRAGALAEAGLDRVNVSLDSIDRAHFAAITRRDRLAHVLAGLAAAKAAGLTPVKVNAVLDPTTGREDVVDLLRFCLERGYQLRVIEQMPLDAGHSWRRNIALSADDVLAALRPHFRLRPDPAPRGSAPAELWLVDAGPNTPRGRFGVIASVSHAFCSTCDRTRLTADGQIRSCLFSTEETDLRRLLRGGADDDAIEAAWRAAMWSKPAGHGINAPDFIQPDRPMSAIGG
Complex: SF4_A_6(1TV7) / Model_1(1TV7/A) = [3.6] Download331.1817.79MTLTALGMPALRSRTNGIADPRVVPTTGPLVDTFGRVANDLRVSLTDRCNLRCSYCMPERGLRWLPGEQLLRPDELARLIHIAVTRLGVTSVRFTGGEPLLAHHLDEVVAATARLRPRPEISLTTNGVGLARRAGALAEAGLDRVNVSLDSIDRAHFAAITRRDRLAHVLAGLAAAKAAGLTPVKVNAVLDPTTGREDVVDLLRFCLERGYQLRVIEQMPLDAGHSWRRNIALSADDVLAALRPHFRLRPDPAPRGSAPAELWLVDAGPNTPRGRFGVIASVSHAFCSTCDRTRLTADGQIRSCLFSTEETDLRRLLRGGADDDAIEAAWRAAMWSKPAGHGINAPDFIQPDRPMSAIGG
Complex: 5AD_A_10(2FB3) / Model_3(2FB3/A) = [3.6] Download1024.2622.65MTLTALGMPALRSRTNGIADPRVVPTTGPLVDTFGRVANDLRVSLTDRCNLRCSYCMPERGLRWLPGEQLLRPDELARLIHIAVTRLGVTSVRFTGGEPLLAHHLDEVVAATARLRPRPEISLTTNGVGLARRAGALAEAGLDRVNVSLDSIDRAHFAAITRRDRLAHVLAGLAAAKAAGLTPVKVNAVLDPTTGREDVVDLLRFCLERGYQLRVIEQMPLDAGHSWRRNIALSADDVLAALRPHFRLRPDPAPRGSAPAELWLVDAGPNTPRGRFGVIASVSHAFCSTCDRTRLTADGQIRSCLFSTEETDLRRLLRGGADDDAIEAAWRAAMWSKPAGHGINAPDFIQPDRPMSAIGG
Consensus
[pKd Mean = 3.46]
-460
(s=283)
16
(s=3)
MTLTALGMPALRSRTNGIADPRVVPTTGPLVDTFGRVANDLRVSLTDRCNLRCSYCMPERGLRWLPGEQLLRPDELARLIHIAVTRLGVTSVRFTGGEPLLAHHLDEVVAATARLRPRPEISLTTNGVGLARRAGALAEAGLDRVNVSLDSIDRAHFAAITRRDRLAHVLAGLAAAKAAGLTPVKVNAVLDPTTGREDVVDLLRFCLERGYQLRVIEQMPLDAGHSWRRNIALSADDVLAALRPHFRLRPDPAPRGSAPAELWLVDAGPNTPRGRFGVIASVSHAFCSTCDRTRLTADGQIRSCLFSTEETDLRRLLRGGADDDAIEAAWRAAMWSKPAGHGINAPDFIQPDRPMSAIGG