Study : Wbm0077 (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: P5A_A_24(2J3L) / Model_45(2J3L/A) = [7.7] Download1118.8812.09MRLSQYYLPTLKEKPAHARIISHQYSLRAGLIKQIASGIYTWLPLGLRVLKNIEGIIRDEMNKSGAIEALMPCVQPASLWRESGRYDDYGKTMLRIRDRHEEDMLFGPTHEEVATDLIRDIVKSYKNLPLCLYQIQWKFRDEVRPRYGVMRGREFLMKDAYSFNVNYESALNSYNLMYKTYIKIFKRMGLIPIGVRADTGLIGGNLSHEFHILASTGESTLYYDNKFFELLESEDVKSLKSIYAVADDIHDPKTCPVPQEQLNVSKGIEIGHIFYFGDKYSKPMNAKVTAQDGKNVNIHMGSYGIGVSRLVGAIIEAFHDDKGITWPEAVAPFRVGLINLQTKTAEYVEIANKIYSTLKSDEVLYDDTEGSIGVKFAKMDLIGLPWQIIVGKKAVSENIIEIKNRATGKVEEVQIEEAINYFNVK
Complex: P5A_A_24(2J3L) / Model_29(2J3L/A) = [8.9] Download658.6813.77MRLSQYYLPTLKEKPAHARIISHQYSLRAGLIKQIASGIYTWLPLGLRVLKNIEGIIRDEMNKSGAIEALMPCVQPASLWRESGRYDDYGKTMLRIRDRHEEDMLFGPTHEEVATDLIRDIVKSYKNLPLCLYQIQWKFRDEVRPRYGVMRGREFLMKDAYSFNVNYESALNSYNLMYKTYIKIFKRMGLIPIGVRADTGLIGGNLSHEFHILASTGESTLYYDNKFFELLESEDVKSLKSIYAVADDIHDPKTCPVPQEQLNVSKGIEIGHIFYFGDKYSKPMNAKVTAQDGKNVNIHMGSYGIGVSRLVGAIIEAFHDDKGITWPEAVAPFRVGLINLQTKTAEYVEIANKIYSTLKSDEVLYDDTEGSIGVKFAKMDLIGLPWQIIVGKKAVSENIIEIKNRATGKVEEVQIEEAINYFNVK
Consensus
[pKd Mean = 8.30]
-888
(s=230)
12
(s=1)
MRLSQYYLPTLKEKPAHARIISHQYSLRAGLIKQIASGIYTWLPLGLRVLKNIEGIIRDEMNKSGAIEALMPCVQPASLWRESGRYDDYGKTMLRIRDRHEEDMLFGPTHEEVATDLIRDIVKSYKNLPLCLYQIQWKFRDEVRPRYGVMRGREFLMKDAYSFNVNYESALNSYNLMYKTYIKIFKRMGLIPIGVRADTGLIGGNLSHEFHILASTGESTLYYDNKFFELLESEDVKSLKSIYAVADDIHDPKTCPVPQEQLNVSKGIEIGHIFYFGDKYSKPMNAKVTAQDGKNVNIHMGSYGIGVSRLVGAIIEAFHDDKGITWPEAVAPFRVGLINLQTKTAEYVEIANKIYSTLKSDEVLYDDTEGSIGVKFAKMDLIGLPWQIIVGKKAVSENIIEIKNRATGKVEEVQIEEAINYFNVK