Study : bsu15980 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: CIT_B_4(1VMA) / Model_64(1VMA/B) = [3.9] Download547.1913.00MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTMSFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM
Complex: GNP_T_20(2Q9B) / Model_55(2Q9B/A) = [4.4] Download1508.1811.48MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTMSFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM
Complex: GNP_K_11(2Q9C) / Model_53(2Q9C/A) = [5.0] Download1757.8916.93MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTMSFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM
Complex: GDP_D_2(2IYL) / Model_60(2IYL/D) = [5.2] Download1445.8910.72MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTMSFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM
Complex: GDP_B_11(4C7O) / Model_49(4C7O/B) = [7.0] Download918.753.86MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTMSFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM
Consensus
[pKd Mean = 5.10]
-1235
(s=439)
11
(s=4)
MAFEGLADRLQQTISKIRGKGKVSEQDVKEMMREVRLALLEADVNFKVVKDFVKKVSERAVGQDVMKSLTPGQQVIKVVQEELTELMGGEESKIAVAKRPPTVIMMVGLQGAGKTTTSGKLANLLRKKHNRKPMLVAADIYRPAAIKQLETLGKQLDMPVFSLGDQVSPVEIAKQAIEKAKEEHYDYVILDTAGRLHIDHELMDELTNVKEIANPEEIFLVVDSMTGQDAVNVAKSFNEQLGLTGVVLTKLDGDTRGGAALSIRAVTNTPIKFAGLGEKLDALEPFHPERMASRILGMGDVLTLIEKAQASVDEDKAKELEQKMRTMSFTLDDFLEQLGQVRNMGPLDELLQMMPGAGKMKGLKNIQVDEKQLNHVEAIIKSMTVLEKEQPDIINASRRKRIAKGSGTSVQEVNRLLKQFDEMKKMMKQMTNMSKGKKKGFKLPFM