Study : SA2252 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ANP_K_6(3C41) / Model_30(3C41/K) = [3.1] Download672.00-11.50MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGLNPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD
Complex: AT4_A_5(2OLK) / Model_9(2OLK/A) = [3.1] Download945.61-3.82MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGLNPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD
Complex: ANP_J_5(3C41) / Model_7(3C41/J) = [3.6] Download759.91-11.50MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGLNPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD
Complex: ADP_B_6(2Q0H) / Model_32(2Q0H/B) = [3.6] Download535.30-1.10MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGLNPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD
Complex: ADP_A_2(4U00) / Model_5(4U00/A) = [3.7] Download548.24-4.07MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGLNPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD
Consensus
[pKd Mean = 3.42]
-692
(s=151)
-6
(s=4)
MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGLNPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD