Study : SA2140 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DMS_A_12(3D7R) / Model_43(3D7R/A) = [3.6] Download235.3038.33MIRNRVMNSVVNKYLLHNRSIMFKNDQDVERFFYKREIENRKKHKQPSTLNVKANLEKLSLDDMQVFRFNFRHQIDKKILYIHGGFNALQPSPFHWRLLDKITLSTLYEVVLPIYPKTPEFHIDDTFQAIQRVYDQLVSEVGHQNVVVMGDGSGGALALSFVQSLLDNQQPLPNKLYLISPILDATLSNKDISDALIEQDAVLSQFGVNEIMKKWANGLPLTDKRISPINGTIEGLPPVYMFGGGREMTHPDMKLFEQMMLQHHQYIEFYDYPKMVHDFPIYPIRQSHKAIKQIAKSIDEDVTQNN
Complex: DMS_A_12(3D7R) / Model_1(3D7R/A) = [3.6] Download227.4638.33MIRNRVMNSVVNKYLLHNRSIMFKNDQDVERFFYKREIENRKKHKQPSTLNVKANLEKLSLDDMQVFRFNFRHQIDKKILYIHGGFNALQPSPFHWRLLDKITLSTLYEVVLPIYPKTPEFHIDDTFQAIQRVYDQLVSEVGHQNVVVMGDGSGGALALSFVQSLLDNQQPLPNKLYLISPILDATLSNKDISDALIEQDAVLSQFGVNEIMKKWANGLPLTDKRISPINGTIEGLPPVYMFGGGREMTHPDMKLFEQMMLQHHQYIEFYDYPKMVHDFPIYPIRQSHKAIKQIAKSIDEDVTQNN
Consensus
[pKd Mean = 3.60]
-231
(s=3)
38
(s=0)
MIRNRVMNSVVNKYLLHNRSIMFKNDQDVERFFYKREIENRKKHKQPSTLNVKANLEKLSLDDMQVFRFNFRHQIDKKILYIHGGFNALQPSPFHWRLLDKITLSTLYEVVLPIYPKTPEFHIDDTFQAIQRVYDQLVSEVGHQNVVVMGDGSGGALALSFVQSLLDNQQPLPNKLYLISPILDATLSNKDISDALIEQDAVLSQFGVNEIMKKWANGLPLTDKRISPINGTIEGLPPVYMFGGGREMTHPDMKLFEQMMLQHHQYIEFYDYPKMVHDFPIYPIRQSHKAIKQIAKSIDEDVTQNN