Study : Rv2688c (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_A_6(4YMV) / Model_21(4YMV/A) = [4.6] Download854.13-2.81MTALNRAVASARVGTEVIRVRGLTFRYPKAAEPAVRGMEFTVGRGEIFGLLGPSGAGKSTTQKLLIGLLRDHGGQATVWDKEPAEWGPDYYERIGVSFELPNHYQKLTGYENLRFFASLYAGATADPMQLLAAVGLADDAHTLVGKYSKGMQMRLPFARSLINDPELLFLDEPTSGLDPVNARKIKDIIVDLKARGRTIFLTTHDMATADELCDRVAFVVDGRIVALDSPTELKIARSRRRVRVEYRGDGGGLETAEFGMDGLADDPAFHSVLRNHHVETIHSREASLDDVFVEVTGRQLT
Complex: ATP_A_7(4YMU) / Model_22(4YMU/A) = [4.6] Download858.94-8.07MTALNRAVASARVGTEVIRVRGLTFRYPKAAEPAVRGMEFTVGRGEIFGLLGPSGAGKSTTQKLLIGLLRDHGGQATVWDKEPAEWGPDYYERIGVSFELPNHYQKLTGYENLRFFASLYAGATADPMQLLAAVGLADDAHTLVGKYSKGMQMRLPFARSLINDPELLFLDEPTSGLDPVNARKIKDIIVDLKARGRTIFLTTHDMATADELCDRVAFVVDGRIVALDSPTELKIARSRRRVRVEYRGDGGGLETAEFGMDGLADDPAFHSVLRNHHVETIHSREASLDDVFVEVTGRQLT
Complex: ANP_J_5(3C41) / Model_17(3C41/J) = [5.4] Download808.38-8.19MTALNRAVASARVGTEVIRVRGLTFRYPKAAEPAVRGMEFTVGRGEIFGLLGPSGAGKSTTQKLLIGLLRDHGGQATVWDKEPAEWGPDYYERIGVSFELPNHYQKLTGYENLRFFASLYAGATADPMQLLAAVGLADDAHTLVGKYSKGMQMRLPFARSLINDPELLFLDEPTSGLDPVNARKIKDIIVDLKARGRTIFLTTHDMATADELCDRVAFVVDGRIVALDSPTELKIARSRRRVRVEYRGDGGGLETAEFGMDGLADDPAFHSVLRNHHVETIHSREASLDDVFVEVTGRQLT
Consensus
[pKd Mean = 4.87]
-840
(s=22)
-6
(s=2)
MTALNRAVASARVGTEVIRVRGLTFRYPKAAEPAVRGMEFTVGRGEIFGLLGPSGAGKSTTQKLLIGLLRDHGGQATVWDKEPAEWGPDYYERIGVSFELPNHYQKLTGYENLRFFASLYAGATADPMQLLAAVGLADDAHTLVGKYSKGMQMRLPFARSLINDPELLFLDEPTSGLDPVNARKIKDIIVDLKARGRTIFLTTHDMATADELCDRVAFVVDGRIVALDSPTELKIARSRRRVRVEYRGDGGGLETAEFGMDGLADDPAFHSVLRNHHVETIHSREASLDDVFVEVTGRQLT