Study : C6DKR9_PECCP (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GMP_A_2(5IGI) / Model_56(5IGI/A) = [4.2] Download1267.0817.76MAPFSIKQADIQQQLTAAIQKHFPAVEIADIRFELVGGLSSKSWRIRGPGIEWLARRQSPTERKMGVDRQREFALLRRMSAIGLAPRPLLWRDDWLIVEWVPGRIATSDEFLMMLANGEVARVLSQLHRLPRSGHPLDIKMLFAQHWQLMDPHRRSPVLLRAHHYFQRAPLPTPLALAPLHLDVHAENLLITPQGTMLIDWEYASDGDIAFELAFIVRASQMDSMAQRYFLQSYQRHRRGFSVNRLQQQMRQWFPWVDYLVLMWFEIRWQQTKNPEFLADIPALYHRLQLGHRLQPD
Complex: ADP_B_9(3MES) / Model_49(3MES/B) = [6.0] Download1123.6121.56MAPFSIKQADIQQQLTAAIQKHFPAVEIADIRFELVGGLSSKSWRIRGPGIEWLARRQSPTERKMGVDRQREFALLRRMSAIGLAPRPLLWRDDWLIVEWVPGRIATSDEFLMMLANGEVARVLSQLHRLPRSGHPLDIKMLFAQHWQLMDPHRRSPVLLRAHHYFQRAPLPTPLALAPLHLDVHAENLLITPQGTMLIDWEYASDGDIAFELAFIVRASQMDSMAQRYFLQSYQRHRRGFSVNRLQQQMRQWFPWVDYLVLMWFEIRWQQTKNPEFLADIPALYHRLQLGHRLQPD
Consensus
[pKd Mean = 5.10]
-1195
(s=71)
19
(s=2)
MAPFSIKQADIQQQLTAAIQKHFPAVEIADIRFELVGGLSSKSWRIRGPGIEWLARRQSPTERKMGVDRQREFALLRRMSAIGLAPRPLLWRDDWLIVEWVPGRIATSDEFLMMLANGEVARVLSQLHRLPRSGHPLDIKMLFAQHWQLMDPHRRSPVLLRAHHYFQRAPLPTPLALAPLHLDVHAENLLITPQGTMLIDWEYASDGDIAFELAFIVRASQMDSMAQRYFLQSYQRHRRGFSVNRLQQQMRQWFPWVDYLVLMWFEIRWQQTKNPEFLADIPALYHRLQLGHRLQPD