Study : bsu27430 (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: ATP_C_3(1VCI) / Model_44(1VCI/A) = [4.5] Download1136.175.62MITFQNVNKHYGDFHVLKQINLQIEKGEVVVIIGPSGSGKSTLLRCINRLESINEGVLTVNGTAINDRKTDINQVRQNIGMVFQHFHLYPHKTVLQNIMLAPVKVLRQSPEQAKETARYYLEKVGIPDKADAYPSQLSGGQQQRVAIARGLAMKPEVMLFDEPTSALDPEMIGEVLDVMKTLAKEGMTMVVVTHEMGFAKEVADRIVFIDEGKILEEAVPAEFYANPKEERARLFLSRILNH
Complex: ATP_A_6(4YMV) / Model_24(4YMV/A) = [5.1] Download1262.072.21MITFQNVNKHYGDFHVLKQINLQIEKGEVVVIIGPSGSGKSTLLRCINRLESINEGVLTVNGTAINDRKTDINQVRQNIGMVFQHFHLYPHKTVLQNIMLAPVKVLRQSPEQAKETARYYLEKVGIPDKADAYPSQLSGGQQQRVAIARGLAMKPEVMLFDEPTSALDPEMIGEVLDVMKTLAKEGMTMVVVTHEMGFAKEVADRIVFIDEGKILEEAVPAEFYANPKEERARLFLSRILNH
Complex: AGS_B_6(3C4J) / Model_26(3C4J/B) = [5.2] Download1373.2011.18MITFQNVNKHYGDFHVLKQINLQIEKGEVVVIIGPSGSGKSTLLRCINRLESINEGVLTVNGTAINDRKTDINQVRQNIGMVFQHFHLYPHKTVLQNIMLAPVKVLRQSPEQAKETARYYLEKVGIPDKADAYPSQLSGGQQQRVAIARGLAMKPEVMLFDEPTSALDPEMIGEVLDVMKTLAKEGMTMVVVTHEMGFAKEVADRIVFIDEGKILEEAVPAEFYANPKEERARLFLSRILNH
Complex: ATP_J_5(4YMU) / Model_5(4YMU/J) = [5.3] Download1160.446.24MITFQNVNKHYGDFHVLKQINLQIEKGEVVVIIGPSGSGKSTLLRCINRLESINEGVLTVNGTAINDRKTDINQVRQNIGMVFQHFHLYPHKTVLQNIMLAPVKVLRQSPEQAKETARYYLEKVGIPDKADAYPSQLSGGQQQRVAIARGLAMKPEVMLFDEPTSALDPEMIGEVLDVMKTLAKEGMTMVVVTHEMGFAKEVADRIVFIDEGKILEEAVPAEFYANPKEERARLFLSRILNH
Complex: ATP_J_5(4YMV) / Model_6(4YMV/J) = [5.4] Download1233.594.79MITFQNVNKHYGDFHVLKQINLQIEKGEVVVIIGPSGSGKSTLLRCINRLESINEGVLTVNGTAINDRKTDINQVRQNIGMVFQHFHLYPHKTVLQNIMLAPVKVLRQSPEQAKETARYYLEKVGIPDKADAYPSQLSGGQQQRVAIARGLAMKPEVMLFDEPTSALDPEMIGEVLDVMKTLAKEGMTMVVVTHEMGFAKEVADRIVFIDEGKILEEAVPAEFYANPKEERARLFLSRILNH
Consensus
[pKd Mean = 5.10]
-1233
(s=83)
6
(s=2)
MITFQNVNKHYGDFHVLKQINLQIEKGEVVVIIGPSGSGKSTLLRCINRLESINEGVLTVNGTAINDRKTDINQVRQNIGMVFQHFHLYPHKTVLQNIMLAPVKVLRQSPEQAKETARYYLEKVGIPDKADAYPSQLSGGQQQRVAIARGLAMKPEVMLFDEPTSALDPEMIGEVLDVMKTLAKEGMTMVVVTHEMGFAKEVADRIVFIDEGKILEEAVPAEFYANPKEERARLFLSRILNH