Study : Lmo1768 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ONL_B_7(1ECG) / Model_22(1ECG/B) = [3.1] Download272.645.94MLAEVKGLNEECGIFGIWDHPNAAEITYYGLHSLQHRGQEGAGIVSTDGEILKGHRNLGLLADVFKHGELDDLKGKAAIGHVRYATAGQKNLGNVQPFLFHFHSSSLALAHNGNLVNAKSLRRELEEEGAIFQTSSDTEVLAHLIKRSHTGDFVEDLKVALNKVKGGFAYMLLTEDTMYAALDPNGFRPLSIGRIGDSYVVASETCAFETVGAEFVRDVEPGELIIINDDGLRIEKFTENVKHSICSMEYIYFARPDSNIAGINVHSARKRSGKRLAKEAFIDADVVTGVPDSSISAAIGYAEEAGLPYELGLIKNRYVARTFIQPSQELREQGVRMKLSAVRGVVEGKRVVMIDDSIVRGTTSKRIVQLLREAGAAEVHVRIASPPLAYPCFYGIDIQTRNELIASNYSVDEICRIIGADSLEYLSEEGLVDSIGRPYPNEPYGGLCMAYFNGDYPTPLYDYEAEYLASLEAEK
Complex: PIN_B_8(1ECG) / Model_22(1ECG/B) = [3.3] Download1039.2219.32MLAEVKGLNEECGIFGIWDHPNAAEITYYGLHSLQHRGQEGAGIVSTDGEILKGHRNLGLLADVFKHGELDDLKGKAAIGHVRYATAGQKNLGNVQPFLFHFHSSSLALAHNGNLVNAKSLRRELEEEGAIFQTSSDTEVLAHLIKRSHTGDFVEDLKVALNKVKGGFAYMLLTEDTMYAALDPNGFRPLSIGRIGDSYVVASETCAFETVGAEFVRDVEPGELIIINDDGLRIEKFTENVKHSICSMEYIYFARPDSNIAGINVHSARKRSGKRLAKEAFIDADVVTGVPDSSISAAIGYAEEAGLPYELGLIKNRYVARTFIQPSQELREQGVRMKLSAVRGVVEGKRVVMIDDSIVRGTTSKRIVQLLREAGAAEVHVRIASPPLAYPCFYGIDIQTRNELIASNYSVDEICRIIGADSLEYLSEEGLVDSIGRPYPNEPYGGLCMAYFNGDYPTPLYDYEAEYLASLEAEK
Complex: ONL_B_10(1ECC) / Model_24(1ECC/B) = [3.5] Download146.203.79MLAEVKGLNEECGIFGIWDHPNAAEITYYGLHSLQHRGQEGAGIVSTDGEILKGHRNLGLLADVFKHGELDDLKGKAAIGHVRYATAGQKNLGNVQPFLFHFHSSSLALAHNGNLVNAKSLRRELEEEGAIFQTSSDTEVLAHLIKRSHTGDFVEDLKVALNKVKGGFAYMLLTEDTMYAALDPNGFRPLSIGRIGDSYVVASETCAFETVGAEFVRDVEPGELIIINDDGLRIEKFTENVKHSICSMEYIYFARPDSNIAGINVHSARKRSGKRLAKEAFIDADVVTGVPDSSISAAIGYAEEAGLPYELGLIKNRYVARTFIQPSQELREQGVRMKLSAVRGVVEGKRVVMIDDSIVRGTTSKRIVQLLREAGAAEVHVRIASPPLAYPCFYGIDIQTRNELIASNYSVDEICRIIGADSLEYLSEEGLVDSIGRPYPNEPYGGLCMAYFNGDYPTPLYDYEAEYLASLEAEK
Complex: PIN_B_6(1ECF) / Model_23(1ECF/B) = [3.7] Download1211.1217.90MLAEVKGLNEECGIFGIWDHPNAAEITYYGLHSLQHRGQEGAGIVSTDGEILKGHRNLGLLADVFKHGELDDLKGKAAIGHVRYATAGQKNLGNVQPFLFHFHSSSLALAHNGNLVNAKSLRRELEEEGAIFQTSSDTEVLAHLIKRSHTGDFVEDLKVALNKVKGGFAYMLLTEDTMYAALDPNGFRPLSIGRIGDSYVVASETCAFETVGAEFVRDVEPGELIIINDDGLRIEKFTENVKHSICSMEYIYFARPDSNIAGINVHSARKRSGKRLAKEAFIDADVVTGVPDSSISAAIGYAEEAGLPYELGLIKNRYVARTFIQPSQELREQGVRMKLSAVRGVVEGKRVVMIDDSIVRGTTSKRIVQLLREAGAAEVHVRIASPPLAYPCFYGIDIQTRNELIASNYSVDEICRIIGADSLEYLSEEGLVDSIGRPYPNEPYGGLCMAYFNGDYPTPLYDYEAEYLASLEAEK
Complex: PIN_A_3(1ECF) / Model_1(1ECF/A) = [4.1] Download1027.4015.33MLAEVKGLNEECGIFGIWDHPNAAEITYYGLHSLQHRGQEGAGIVSTDGEILKGHRNLGLLADVFKHGELDDLKGKAAIGHVRYATAGQKNLGNVQPFLFHFHSSSLALAHNGNLVNAKSLRRELEEEGAIFQTSSDTEVLAHLIKRSHTGDFVEDLKVALNKVKGGFAYMLLTEDTMYAALDPNGFRPLSIGRIGDSYVVASETCAFETVGAEFVRDVEPGELIIINDDGLRIEKFTENVKHSICSMEYIYFARPDSNIAGINVHSARKRSGKRLAKEAFIDADVVTGVPDSSISAAIGYAEEAGLPYELGLIKNRYVARTFIQPSQELREQGVRMKLSAVRGVVEGKRVVMIDDSIVRGTTSKRIVQLLREAGAAEVHVRIASPPLAYPCFYGIDIQTRNELIASNYSVDEICRIIGADSLEYLSEEGLVDSIGRPYPNEPYGGLCMAYFNGDYPTPLYDYEAEYLASLEAEK
Consensus
[pKd Mean = 3.54]
-739
(s=439)
12
(s=6)
MLAEVKGLNEECGIFGIWDHPNAAEITYYGLHSLQHRGQEGAGIVSTDGEILKGHRNLGLLADVFKHGELDDLKGKAAIGHVRYATAGQKNLGNVQPFLFHFHSSSLALAHNGNLVNAKSLRRELEEEGAIFQTSSDTEVLAHLIKRSHTGDFVEDLKVALNKVKGGFAYMLLTEDTMYAALDPNGFRPLSIGRIGDSYVVASETCAFETVGAEFVRDVEPGELIIINDDGLRIEKFTENVKHSICSMEYIYFARPDSNIAGINVHSARKRSGKRLAKEAFIDADVVTGVPDSSISAAIGYAEEAGLPYELGLIKNRYVARTFIQPSQELREQGVRMKLSAVRGVVEGKRVVMIDDSIVRGTTSKRIVQLLREAGAAEVHVRIASPPLAYPCFYGIDIQTRNELIASNYSVDEICRIIGADSLEYLSEEGLVDSIGRPYPNEPYGGLCMAYFNGDYPTPLYDYEAEYLASLEAEK