Study : Rv2501c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: OA3_C_5(2W6O) / Model_43(2W6O/C) = [3.4] Download606.7535.94MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD
Complex: ADP_A_3(4RZQ) / Model_13(4RZQ/A) = [3.4] Download1375.1628.16MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD
Complex: OA1_A_3(2W6M) / Model_48(2W6M/A) = [3.6] Download873.9333.14MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD
Complex: OA1_B_5(2W6M) / Model_47(2W6M/B) = [3.7] Download926.6436.32MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD
Complex: ACP_A_2(4MV3) / Model_9(4MV3/A) = [3.7] Download1441.6322.93MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD
Consensus
[pKd Mean = 3.56]
-1044
(s=316)
31
(s=5)
MFDTVLVANRGEIAVRVIRTLRRLGIRSVAVYSDPDVDARHVLEADAAVRLGPAPARESYLDIGKVLDAAARTGAQAIHPGYGFLAENADFAAACERARVVFLGPPARAIEVMGDKIAAKNAVAAFDVPVVPGVARAGLTDDALVTAAAEVGYPVLIKPSAGGGGKGMRLVQDPARLPEALVSARREAMSSFGDDTLFLERFVLRPRHIEVQVLADAHGNVVHLGERECSLQRRHQKVIEEAPSPLLDPQTRERIGVAACNTARCVDYVGAGTVEFIVSAQRPDEFFFMEMNTRLQVEHPVTEAITGLDLVEWQLRVGAGEKLGFAQNDIELRGHAIEARVYAEDPAREFLPTGGRVLAVFEPAGPGVRVDSSLLGGTVVGSDYDPLLTKVIAHGADREEALDRLDQALARTAVLGVQTNVEFLRFLLADERVRVGDLDTAVLDERSADFTARPAPDDVLAAGGLYRQWALARRAQGDLWAAPSGWRGGGHMAPVRTAMRTPLRSETVSVWGPPESAQVQVGDGEIDCASVQVTREQMSVTISGLRRDYRWAEADRHLWIADERGTWHLREAEEHKIHRAVGARPAEVVSPMPGSVIAVQVESGSQISAGDVVVVVEAMKMEHSLEAPVSGRVQVLVSVGDQVKVEQVLARIKD