Study : Rv0237 (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: NAG_B_2(1Y65) / Model_34(1Y65/A) = [3.1] Download798.4815.00MAFPRTLAILAAAAALVVACSHGGTPTGSSTTSGASPATPVAVPVPRSCAEPAGIPALLSPRDKLAQLLVVGVRDAADAQAVVTNYHVGGILIGSDTDLTIFDGALAEIVAGGGPLPLAVSVDEEGGRVSRLRSLIGGTGPSARELAQTRTVQQVRDLARDRGRQMRKLGITIDFAPVVDVTDAPDDTVIGDRSFGSDPATVTAYAGAYAQGLRDAGVLPVLKHFPGHGRGSGDSHNGGVTTPPLDDLVGDDLVPYRTLVTQAPVGVMVGHLQVPGLTGSEPASLSKAAVNLLRTGTGYGAPPFDGPVFSDDLSGMAAISDRFGVSEAVLRTLQAGADIALWVTTKEVPAVLDRLEQALRAGELPMSAVDRSVVRVATMKGPNPGCGR
Complex: NAG_B_7(4GVI) / Model_31(4GVI/B) = [3.1] Download883.4514.14MAFPRTLAILAAAAALVVACSHGGTPTGSSTTSGASPATPVAVPVPRSCAEPAGIPALLSPRDKLAQLLVVGVRDAADAQAVVTNYHVGGILIGSDTDLTIFDGALAEIVAGGGPLPLAVSVDEEGGRVSRLRSLIGGTGPSARELAQTRTVQQVRDLARDRGRQMRKLGITIDFAPVVDVTDAPDDTVIGDRSFGSDPATVTAYAGAYAQGLRDAGVLPVLKHFPGHGRGSGDSHNGGVTTPPLDDLVGDDLVPYRTLVTQAPVGVMVGHLQVPGLTGSEPASLSKAAVNLLRTGTGYGAPPFDGPVFSDDLSGMAAISDRFGVSEAVLRTLQAGADIALWVTTKEVPAVLDRLEQALRAGELPMSAVDRSVVRVATMKGPNPGCGR
Complex: NDG_B_5(4GVF) / Model_30(4GVF/B) = [3.2] Download731.4514.14MAFPRTLAILAAAAALVVACSHGGTPTGSSTTSGASPATPVAVPVPRSCAEPAGIPALLSPRDKLAQLLVVGVRDAADAQAVVTNYHVGGILIGSDTDLTIFDGALAEIVAGGGPLPLAVSVDEEGGRVSRLRSLIGGTGPSARELAQTRTVQQVRDLARDRGRQMRKLGITIDFAPVVDVTDAPDDTVIGDRSFGSDPATVTAYAGAYAQGLRDAGVLPVLKHFPGHGRGSGDSHNGGVTTPPLDDLVGDDLVPYRTLVTQAPVGVMVGHLQVPGLTGSEPASLSKAAVNLLRTGTGYGAPPFDGPVFSDDLSGMAAISDRFGVSEAVLRTLQAGADIALWVTTKEVPAVLDRLEQALRAGELPMSAVDRSVVRVATMKGPNPGCGR
Complex: MUB_A_4(4GYJ) / Model_5(4GYJ/A) = [3.2] Download1116.591.86MAFPRTLAILAAAAALVVACSHGGTPTGSSTTSGASPATPVAVPVPRSCAEPAGIPALLSPRDKLAQLLVVGVRDAADAQAVVTNYHVGGILIGSDTDLTIFDGALAEIVAGGGPLPLAVSVDEEGGRVSRLRSLIGGTGPSARELAQTRTVQQVRDLARDRGRQMRKLGITIDFAPVVDVTDAPDDTVIGDRSFGSDPATVTAYAGAYAQGLRDAGVLPVLKHFPGHGRGSGDSHNGGVTTPPLDDLVGDDLVPYRTLVTQAPVGVMVGHLQVPGLTGSEPASLSKAAVNLLRTGTGYGAPPFDGPVFSDDLSGMAAISDRFGVSEAVLRTLQAGADIALWVTTKEVPAVLDRLEQALRAGELPMSAVDRSVVRVATMKGPNPGCGR
Complex: VPU_A_2(3GSM) / Model_17(3GSM/A) = [3.3] Download1015.4819.79MAFPRTLAILAAAAALVVACSHGGTPTGSSTTSGASPATPVAVPVPRSCAEPAGIPALLSPRDKLAQLLVVGVRDAADAQAVVTNYHVGGILIGSDTDLTIFDGALAEIVAGGGPLPLAVSVDEEGGRVSRLRSLIGGTGPSARELAQTRTVQQVRDLARDRGRQMRKLGITIDFAPVVDVTDAPDDTVIGDRSFGSDPATVTAYAGAYAQGLRDAGVLPVLKHFPGHGRGSGDSHNGGVTTPPLDDLVGDDLVPYRTLVTQAPVGVMVGHLQVPGLTGSEPASLSKAAVNLLRTGTGYGAPPFDGPVFSDDLSGMAAISDRFGVSEAVLRTLQAGADIALWVTTKEVPAVLDRLEQALRAGELPMSAVDRSVVRVATMKGPNPGCGR
Consensus
[pKd Mean = 3.18]
-909
(s=140)
12
(s=6)
MAFPRTLAILAAAAALVVACSHGGTPTGSSTTSGASPATPVAVPVPRSCAEPAGIPALLSPRDKLAQLLVVGVRDAADAQAVVTNYHVGGILIGSDTDLTIFDGALAEIVAGGGPLPLAVSVDEEGGRVSRLRSLIGGTGPSARELAQTRTVQQVRDLARDRGRQMRKLGITIDFAPVVDVTDAPDDTVIGDRSFGSDPATVTAYAGAYAQGLRDAGVLPVLKHFPGHGRGSGDSHNGGVTTPPLDDLVGDDLVPYRTLVTQAPVGVMVGHLQVPGLTGSEPASLSKAAVNLLRTGTGYGAPPFDGPVFSDDLSGMAAISDRFGVSEAVLRTLQAGADIALWVTTKEVPAVLDRLEQALRAGELPMSAVDRSVVRVATMKGPNPGCGR