Study : Rv3419c (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: ANP_B_4(2VWB) / Model_25(2VWB/B) = [5.2] Download1086.4811.81MTTVLGIETSCDETGVGIARLDPDGTVTLLADEVASSVDEHVRFGGVVPEIASRAHLEALGPAMRRALAAAGLKQPDIVAATIGPGLAGALLVGVAAAKAYSAAWGVPFYAVNHLGGHLAADVYEHGPLPECVALLVSGGHTHLLHVRSLGEPIIELGSTVDDAAGEAYDKVARLLGLGYPGGKALDDLARTGDRDAIVFPRGMSGPADDRYAFSFSGLKTAVARYVESHAADPGFRTADIAAGFQEAVADVLTMKAVRAATALGVSTLLIAGGVAANSRLRELATQRCGEAGRTLRIPSPRLCTDNGAMIAAFAAQLVAAGAPPSPLDVPSDPGLPVMQGQVR
Complex: ATP_A_6(4WQ4) / Model_5(4WQ4/A) = [5.6] Download1181.019.71MTTVLGIETSCDETGVGIARLDPDGTVTLLADEVASSVDEHVRFGGVVPEIASRAHLEALGPAMRRALAAAGLKQPDIVAATIGPGLAGALLVGVAAAKAYSAAWGVPFYAVNHLGGHLAADVYEHGPLPECVALLVSGGHTHLLHVRSLGEPIIELGSTVDDAAGEAYDKVARLLGLGYPGGKALDDLARTGDRDAIVFPRGMSGPADDRYAFSFSGLKTAVARYVESHAADPGFRTADIAAGFQEAVADVLTMKAVRAATALGVSTLLIAGGVAANSRLRELATQRCGEAGRTLRIPSPRLCTDNGAMIAAFAAQLVAAGAPPSPLDVPSDPGLPVMQGQVR
Complex: ANP_A_3(2VWB) / Model_11(2VWB/A) = [5.7] Download984.4013.67MTTVLGIETSCDETGVGIARLDPDGTVTLLADEVASSVDEHVRFGGVVPEIASRAHLEALGPAMRRALAAAGLKQPDIVAATIGPGLAGALLVGVAAAKAYSAAWGVPFYAVNHLGGHLAADVYEHGPLPECVALLVSGGHTHLLHVRSLGEPIIELGSTVDDAAGEAYDKVARLLGLGYPGGKALDDLARTGDRDAIVFPRGMSGPADDRYAFSFSGLKTAVARYVESHAADPGFRTADIAAGFQEAVADVLTMKAVRAATALGVSTLLIAGGVAANSRLRELATQRCGEAGRTLRIPSPRLCTDNGAMIAAFAAQLVAAGAPPSPLDVPSDPGLPVMQGQVR
Complex: ATP_B_9(4WQ4) / Model_20(4WQ4/B) = [6.0] Download1093.2511.44MTTVLGIETSCDETGVGIARLDPDGTVTLLADEVASSVDEHVRFGGVVPEIASRAHLEALGPAMRRALAAAGLKQPDIVAATIGPGLAGALLVGVAAAKAYSAAWGVPFYAVNHLGGHLAADVYEHGPLPECVALLVSGGHTHLLHVRSLGEPIIELGSTVDDAAGEAYDKVARLLGLGYPGGKALDDLARTGDRDAIVFPRGMSGPADDRYAFSFSGLKTAVARYVESHAADPGFRTADIAAGFQEAVADVLTMKAVRAATALGVSTLLIAGGVAANSRLRELATQRCGEAGRTLRIPSPRLCTDNGAMIAAFAAQLVAAGAPPSPLDVPSDPGLPVMQGQVR
Complex: AMP_B_4(3ZET) / Model_1(3ZET/B) = [6.1] Download950.171.11MTTVLGIETSCDETGVGIARLDPDGTVTLLADEVASSVDEHVRFGGVVPEIASRAHLEALGPAMRRALAAAGLKQPDIVAATIGPGLAGALLVGVAAAKAYSAAWGVPFYAVNHLGGHLAADVYEHGPLPECVALLVSGGHTHLLHVRSLGEPIIELGSTVDDAAGEAYDKVARLLGLGYPGGKALDDLARTGDRDAIVFPRGMSGPADDRYAFSFSGLKTAVARYVESHAADPGFRTADIAAGFQEAVADVLTMKAVRAATALGVSTLLIAGGVAANSRLRELATQRCGEAGRTLRIPSPRLCTDNGAMIAAFAAQLVAAGAPPSPLDVPSDPGLPVMQGQVR
Consensus
[pKd Mean = 5.72]
-1059
(s=82)
9
(s=4)
MTTVLGIETSCDETGVGIARLDPDGTVTLLADEVASSVDEHVRFGGVVPEIASRAHLEALGPAMRRALAAAGLKQPDIVAATIGPGLAGALLVGVAAAKAYSAAWGVPFYAVNHLGGHLAADVYEHGPLPECVALLVSGGHTHLLHVRSLGEPIIELGSTVDDAAGEAYDKVARLLGLGYPGGKALDDLARTGDRDAIVFPRGMSGPADDRYAFSFSGLKTAVARYVESHAADPGFRTADIAAGFQEAVADVLTMKAVRAATALGVSTLLIAGGVAANSRLRELATQRCGEAGRTLRIPSPRLCTDNGAMIAAFAAQLVAAGAPPSPLDVPSDPGLPVMQGQVR