Study : Rv1589 (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: SF4_A_5(1R30) / Model_1(1R30/A) = [3.5] Download273.641.94MTQAATRPTNDAGQDGGNNSDILVVARQQVLQRGEGLNQDQVLAVLQLPDDRLEELLALAHEVRMRWCGPEVEVEGIISLKTGGCPEDCHFCSQSGLFASPVRSAWLDIPSLVEAAKQTAKSGATEFCIVAAVRGPDERLMAQVAAGIEAIRNEVEINIACSLGMLTAEQVDQLAARGVHRYNHNLETARSFFANVVTTHTWEERWQTLSMVRDAGMEVCCGGILGMGETLQQRAEFAAELAELGPDEVPLNFLNPRPGTPFADLEVMPVGDALKAVAAFRLALPRTMLRFAGGREITLGDLGAKRGILGGINAVIVGNYLTTLGRPAEADLELLDELQMPLKALNASL
Complex: SF4_B_7(1R30) / Model_19(1R30/B) = [3.5] Download334.852.72MTQAATRPTNDAGQDGGNNSDILVVARQQVLQRGEGLNQDQVLAVLQLPDDRLEELLALAHEVRMRWCGPEVEVEGIISLKTGGCPEDCHFCSQSGLFASPVRSAWLDIPSLVEAAKQTAKSGATEFCIVAAVRGPDERLMAQVAAGIEAIRNEVEINIACSLGMLTAEQVDQLAARGVHRYNHNLETARSFFANVVTTHTWEERWQTLSMVRDAGMEVCCGGILGMGETLQQRAEFAAELAELGPDEVPLNFLNPRPGTPFADLEVMPVGDALKAVAAFRLALPRTMLRFAGGREITLGDLGAKRGILGGINAVIVGNYLTTLGRPAEADLELLDELQMPLKALNASL
Complex: SAM_A_3(1R30) / Model_21(1R30/A) = [5.8] Download1108.5212.89MTQAATRPTNDAGQDGGNNSDILVVARQQVLQRGEGLNQDQVLAVLQLPDDRLEELLALAHEVRMRWCGPEVEVEGIISLKTGGCPEDCHFCSQSGLFASPVRSAWLDIPSLVEAAKQTAKSGATEFCIVAAVRGPDERLMAQVAAGIEAIRNEVEINIACSLGMLTAEQVDQLAARGVHRYNHNLETARSFFANVVTTHTWEERWQTLSMVRDAGMEVCCGGILGMGETLQQRAEFAAELAELGPDEVPLNFLNPRPGTPFADLEVMPVGDALKAVAAFRLALPRTMLRFAGGREITLGDLGAKRGILGGINAVIVGNYLTTLGRPAEADLELLDELQMPLKALNASL
Complex: SAM_A_3(1R30) / Model_44(1R30/A) = [5.9] Download1041.509.42MTQAATRPTNDAGQDGGNNSDILVVARQQVLQRGEGLNQDQVLAVLQLPDDRLEELLALAHEVRMRWCGPEVEVEGIISLKTGGCPEDCHFCSQSGLFASPVRSAWLDIPSLVEAAKQTAKSGATEFCIVAAVRGPDERLMAQVAAGIEAIRNEVEINIACSLGMLTAEQVDQLAARGVHRYNHNLETARSFFANVVTTHTWEERWQTLSMVRDAGMEVCCGGILGMGETLQQRAEFAAELAELGPDEVPLNFLNPRPGTPFADLEVMPVGDALKAVAAFRLALPRTMLRFAGGREITLGDLGAKRGILGGINAVIVGNYLTTLGRPAEADLELLDELQMPLKALNASL
Complex: SAM_A_3(1R30) / Model_1(1R30/A) = [6.0] Download1007.7911.71MTQAATRPTNDAGQDGGNNSDILVVARQQVLQRGEGLNQDQVLAVLQLPDDRLEELLALAHEVRMRWCGPEVEVEGIISLKTGGCPEDCHFCSQSGLFASPVRSAWLDIPSLVEAAKQTAKSGATEFCIVAAVRGPDERLMAQVAAGIEAIRNEVEINIACSLGMLTAEQVDQLAARGVHRYNHNLETARSFFANVVTTHTWEERWQTLSMVRDAGMEVCCGGILGMGETLQQRAEFAAELAELGPDEVPLNFLNPRPGTPFADLEVMPVGDALKAVAAFRLALPRTMLRFAGGREITLGDLGAKRGILGGINAVIVGNYLTTLGRPAEADLELLDELQMPLKALNASL
Consensus
[pKd Mean = 4.94]
-753
(s=368)
7
(s=4)
MTQAATRPTNDAGQDGGNNSDILVVARQQVLQRGEGLNQDQVLAVLQLPDDRLEELLALAHEVRMRWCGPEVEVEGIISLKTGGCPEDCHFCSQSGLFASPVRSAWLDIPSLVEAAKQTAKSGATEFCIVAAVRGPDERLMAQVAAGIEAIRNEVEINIACSLGMLTAEQVDQLAARGVHRYNHNLETARSFFANVVTTHTWEERWQTLSMVRDAGMEVCCGGILGMGETLQQRAEFAAELAELGPDEVPLNFLNPRPGTPFADLEVMPVGDALKAVAAFRLALPRTMLRFAGGREITLGDLGAKRGILGGINAVIVGNYLTTLGRPAEADLELLDELQMPLKALNASL