Study : Rv1746 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: ADN_A_2(4O0S) / Model_37(4O0S/A) = [3.8] Download784.1325.96MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGPEVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP
Complex: ACP_D_6(4C3P) / Model_38(4C3P/D) = [4.7] Download1530.7725.43MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGPEVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP
Complex: ADP_A_5(1MQ4) / Model_56(1MQ4/A) = [4.9] Download980.5723.53MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGPEVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP
Complex: ADP_A_4(4DEE) / Model_61(4DEE/A) = [4.9] Download1153.2121.79MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGPEVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP
Complex: ACP_A_5(4C3P) / Model_39(4C3P/A) = [4.9] Download1491.0223.96MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGPEVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP
Consensus
[pKd Mean = 4.64]
-1187
(s=288)
24
(s=1)
MPLAEGSTFAGFTIVRQLGSGGMGEVYLARHPRLPRQDALKVLRADVSADGEYRARFNREADAAASLWHPHIVAVHDRGEFDGQLWIDMDFVDGTDTVSLLRDRYPNGMPGPEVTEIITAVAEALDYAHERRLLHRDVKPANILIANPDSPDRRIMLADFGIAGWVDDPSGLTATNMTVGTVSYAAPEQLMGNELDGRADQYALAATAFHLLTGSPPFQHANPAVVISQHLSASPPAIGDRVPELTPLDPVFAKALAKQPKDRYQRCVDFARALGHRLGGAGDPDDTRVSQPVAVAAPAKRSLLRTAVIVPAVLAMLLVMAVAVAVREFQRADDERAAQPARTRTTTSAGTTTSVAPASTTRPAPTTPTTTGAADTATASPTAAVVAIGALCFPLGSTGTTKTGATAYCSTLQGTNTTIWSLTEDTVASPTVTATADPTEAPLPIEQESPIRVCMQQTGQTRRECREEIRRSNGWP