Study : SA2212 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: PLP_A_3(3A2B) / Model_2(3A2B/A) = [3.2] Download637.832.00MMFQEQIDLLQQKGLYRSLKSVGYIDRQYIEVENKRCTNYTSNDYLGLGQIAFDKDDFERFMRKYSYHLSSSRLISGSSTAYEEIETMLAGWLGYSACTILNSGYDANLALFNIFKNTNCVVFSDQENHASIIDGIKLSGLEKVIYKHLDIADLEKRLEKYPNQNIPKIIISDSVFSTNGDVVDIGQLVSLKHKYNATLILDVSHSFGIENYSNYQGVDILTSSLSKACGAYGGVILSSNDVKDMLINHGRPLIYSSSLPIYNLYFIKRNIEKLINADDRRTKLNSLSKYFNQKLKALNVNYNSSNSPIKFIEFDDIEAAENIHQTLLKHHVFTSYLRYPTVTKPMLRISLSYFHTEQDIDRLFEILHQED
Complex: PLP_A_3(3TQX) / Model_1(3TQX/A) = [3.4] Download408.00-1.64MMFQEQIDLLQQKGLYRSLKSVGYIDRQYIEVENKRCTNYTSNDYLGLGQIAFDKDDFERFMRKYSYHLSSSRLISGSSTAYEEIETMLAGWLGYSACTILNSGYDANLALFNIFKNTNCVVFSDQENHASIIDGIKLSGLEKVIYKHLDIADLEKRLEKYPNQNIPKIIISDSVFSTNGDVVDIGQLVSLKHKYNATLILDVSHSFGIENYSNYQGVDILTSSLSKACGAYGGVILSSNDVKDMLINHGRPLIYSSSLPIYNLYFIKRNIEKLINADDRRTKLNSLSKYFNQKLKALNVNYNSSNSPIKFIEFDDIEAAENIHQTLLKHHVFTSYLRYPTVTKPMLRISLSYFHTEQDIDRLFEILHQED
Complex: PLP_A_3(3TQX) / Model_21(3TQX/A) = [3.5] Download567.33-1.64MMFQEQIDLLQQKGLYRSLKSVGYIDRQYIEVENKRCTNYTSNDYLGLGQIAFDKDDFERFMRKYSYHLSSSRLISGSSTAYEEIETMLAGWLGYSACTILNSGYDANLALFNIFKNTNCVVFSDQENHASIIDGIKLSGLEKVIYKHLDIADLEKRLEKYPNQNIPKIIISDSVFSTNGDVVDIGQLVSLKHKYNATLILDVSHSFGIENYSNYQGVDILTSSLSKACGAYGGVILSSNDVKDMLINHGRPLIYSSSLPIYNLYFIKRNIEKLINADDRRTKLNSLSKYFNQKLKALNVNYNSSNSPIKFIEFDDIEAAENIHQTLLKHHVFTSYLRYPTVTKPMLRISLSYFHTEQDIDRLFEILHQED
Complex: MYB_A_4(4BMK) / Model_12(4BMK/A) = [3.6] Download784.6310.44MMFQEQIDLLQQKGLYRSLKSVGYIDRQYIEVENKRCTNYTSNDYLGLGQIAFDKDDFERFMRKYSYHLSSSRLISGSSTAYEEIETMLAGWLGYSACTILNSGYDANLALFNIFKNTNCVVFSDQENHASIIDGIKLSGLEKVIYKHLDIADLEKRLEKYPNQNIPKIIISDSVFSTNGDVVDIGQLVSLKHKYNATLILDVSHSFGIENYSNYQGVDILTSSLSKACGAYGGVILSSNDVKDMLINHGRPLIYSSSLPIYNLYFIKRNIEKLINADDRRTKLNSLSKYFNQKLKALNVNYNSSNSPIKFIEFDDIEAAENIHQTLLKHHVFTSYLRYPTVTKPMLRISLSYFHTEQDIDRLFEILHQED
Complex: PMP_A_2(2XBN) / Model_10(2XBN/A) = [3.9] Download944.161.40MMFQEQIDLLQQKGLYRSLKSVGYIDRQYIEVENKRCTNYTSNDYLGLGQIAFDKDDFERFMRKYSYHLSSSRLISGSSTAYEEIETMLAGWLGYSACTILNSGYDANLALFNIFKNTNCVVFSDQENHASIIDGIKLSGLEKVIYKHLDIADLEKRLEKYPNQNIPKIIISDSVFSTNGDVVDIGQLVSLKHKYNATLILDVSHSFGIENYSNYQGVDILTSSLSKACGAYGGVILSSNDVKDMLINHGRPLIYSSSLPIYNLYFIKRNIEKLINADDRRTKLNSLSKYFNQKLKALNVNYNSSNSPIKFIEFDDIEAAENIHQTLLKHHVFTSYLRYPTVTKPMLRISLSYFHTEQDIDRLFEILHQED
Consensus
[pKd Mean = 3.52]
-668
(s=183)
2
(s=4)
MMFQEQIDLLQQKGLYRSLKSVGYIDRQYIEVENKRCTNYTSNDYLGLGQIAFDKDDFERFMRKYSYHLSSSRLISGSSTAYEEIETMLAGWLGYSACTILNSGYDANLALFNIFKNTNCVVFSDQENHASIIDGIKLSGLEKVIYKHLDIADLEKRLEKYPNQNIPKIIISDSVFSTNGDVVDIGQLVSLKHKYNATLILDVSHSFGIENYSNYQGVDILTSSLSKACGAYGGVILSSNDVKDMLINHGRPLIYSSSLPIYNLYFIKRNIEKLINADDRRTKLNSLSKYFNQKLKALNVNYNSSNSPIKFIEFDDIEAAENIHQTLLKHHVFTSYLRYPTVTKPMLRISLSYFHTEQDIDRLFEILHQED