Study : A3JM04_9RHOB (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: AMP_A_3(4R78) / Model_55(4R78/A) = [3.4] Download1028.3924.40MTGHGMAGDDWQYRKTMPQNILRPTVEAALPHVAGAEWEPLAGGRTNPVFKINADAPLVCKLSCLSGETPLFGNRALDEAAILKHLEGSGLAPSLTDVLAVPEGEILIYSFVEGDILTQTIPAAVRILRQVHQAEIPDNLPRLDGSSAAIIQKTKAILETLPVQKAMAISFAEPKVELPDTLVPRLIHGDPVPANFIQSKGKLTLIDWQCPAIGDPCEDLAIALSPAMNAVYGDGPLTPQQMKECLNAYGDRTVSDRYRKLAPLFHWRMAAYCAWKVEQGDKDYAAGVKLELAALK
Complex: GDP_A_2(3TDW) / Model_64(3TDW/A) = [5.3] Download857.1021.09MTGHGMAGDDWQYRKTMPQNILRPTVEAALPHVAGAEWEPLAGGRTNPVFKINADAPLVCKLSCLSGETPLFGNRALDEAAILKHLEGSGLAPSLTDVLAVPEGEILIYSFVEGDILTQTIPAAVRILRQVHQAEIPDNLPRLDGSSAAIIQKTKAILETLPVQKAMAISFAEPKVELPDTLVPRLIHGDPVPANFIQSKGKLTLIDWQCPAIGDPCEDLAIALSPAMNAVYGDGPLTPQQMKECLNAYGDRTVSDRYRKLAPLFHWRMAAYCAWKVEQGDKDYAAGVKLELAALK
Consensus
[pKd Mean = 4.35]
-942
(s=85)
22
(s=1)
MTGHGMAGDDWQYRKTMPQNILRPTVEAALPHVAGAEWEPLAGGRTNPVFKINADAPLVCKLSCLSGETPLFGNRALDEAAILKHLEGSGLAPSLTDVLAVPEGEILIYSFVEGDILTQTIPAAVRILRQVHQAEIPDNLPRLDGSSAAIIQKTKAILETLPVQKAMAISFAEPKVELPDTLVPRLIHGDPVPANFIQSKGKLTLIDWQCPAIGDPCEDLAIALSPAMNAVYGDGPLTPQQMKECLNAYGDRTVSDRYRKLAPLFHWRMAAYCAWKVEQGDKDYAAGVKLELAALK