Study : PA4427 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: CHAIN_P_16(1OX9) / Model_27(1OX9/E) = [3.3] Download--MNSSRPYLVRALYEWIVDNDCTPHILVNAEFAGVKVPPGYASDGQIVLNVSPSAVRHLHMDNEAVSFEGRFGGVAQSLYIPALAVMAIYARENGQGMVFDLEQPGPVDDEPGDDDGGPSDEPPRPSGRPSLKVVK
Complex: CHAIN_K_6(1OX9) / Model_30(1OX9/B) = [3.7] Download--MNSSRPYLVRALYEWIVDNDCTPHILVNAEFAGVKVPPGYASDGQIVLNVSPSAVRHLHMDNEAVSFEGRFGGVAQSLYIPALAVMAIYARENGQGMVFDLEQPGPVDDEPGDDDGGPSDEPPRPSGRPSLKVVK
Complex: CHAIN_P_16(1OX9) / Model_24(1OX9/H) = [4.6] Download--MNSSRPYLVRALYEWIVDNDCTPHILVNAEFAGVKVPPGYASDGQIVLNVSPSAVRHLHMDNEAVSFEGRFGGVAQSLYIPALAVMAIYARENGQGMVFDLEQPGPVDDEPGDDDGGPSDEPPRPSGRPSLKVVK
Complex: CHAIN_I_2(1OX9) / Model_2(1OX9/A) = [4.7] Download--MNSSRPYLVRALYEWIVDNDCTPHILVNAEFAGVKVPPGYASDGQIVLNVSPSAVRHLHMDNEAVSFEGRFGGVAQSLYIPALAVMAIYARENGQGMVFDLEQPGPVDDEPGDDDGGPSDEPPRPSGRPSLKVVK
Complex: CHAIN_D_4(1TWB) / Model_34(1TWB/B) = [4.9] Download--MNSSRPYLVRALYEWIVDNDCTPHILVNAEFAGVKVPPGYASDGQIVLNVSPSAVRHLHMDNEAVSFEGRFGGVAQSLYIPALAVMAIYARENGQGMVFDLEQPGPVDDEPGDDDGGPSDEPPRPSGRPSLKVVK
Consensus
[pKd Mean = 4.24]
-0
(s=0)
0
(s=0)
MNSSRPYLVRALYEWIVDNDCTPHILVNAEFAGVKVPPGYASDGQIVLNVSPSAVRHLHMDNEAVSFEGRFGGVAQSLYIPALAVMAIYARENGQGMVFDLEQPGPVDDEPGDDDGGPSDEPPRPSGRPSLKVVK