Study : bsu23620 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NDP_B_16(1YNQ) / Model_21(1YNQ/B) = [11.0] Download1853.2416.12MRKRKLGTSDLDISEVGLGCMSLGTEKNKALSILDEAIELGINYLDTADLYDRGRNEEIVGDAIQNRRHDIILATKAGNRWDDGSEGWYWDPSKAYIKEAVKKSLTRLKTDYIDLYQLHGGTIEDNIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYVKKSNIVSIMMQFSLFDRRPEEWLPLLEEHQISVVARGPVAKGLLTEKPLDQASESMKQNGYLSYSFEELTNARKAMEEVAPDLSMTEKSLQYLLAQPAVASVITGASKIEQLRENIQAANARRLTEEEIKALQSHTKQDIYKAHRS
Consensus
[pKd Mean = 11.00]
-1853
(s=0)
16
(s=0)
MRKRKLGTSDLDISEVGLGCMSLGTEKNKALSILDEAIELGINYLDTADLYDRGRNEEIVGDAIQNRRHDIILATKAGNRWDDGSEGWYWDPSKAYIKEAVKKSLTRLKTDYIDLYQLHGGTIEDNIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYVKKSNIVSIMMQFSLFDRRPEEWLPLLEEHQISVVARGPVAKGLLTEKPLDQASESMKQNGYLSYSFEELTNARKAMEEVAPDLSMTEKSLQYLLAQPAVASVITGASKIEQLRENIQAANARRLTEEEIKALQSHTKQDIYKAHRS