Study : Lmo0261 (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: IFL_A_3(1UZ1) / Model_14(1UZ1/A) = [3.1] Download428.1634.71MTEVKKQFPKGFLWGGATAANQVEGAYDVDGKGLSTADMVKFIPKEERTKDLELDVSKAEIEAIIAGKVEGRFPKRDGVDFYHHYKEDIALFAEMGFKTFRLSLNWARIFPNGDDKEPNEKGLEFYDKVFDELLKYDIEPLVTLSHYETPLNLTLKYNGWADRRVIGFFTNYAETVFKRYKNKVKYWLTFNEINVISLSAYTGGGVLLEDAKNPLELSYQAGHHQFVASALATKLAHEIIPGSQVGCMLARMATYPATNNPDDILKAQYENQQNLFFTDVHARGEYPSFMNRFFQENDIHIVKEVGDDEILKAHTVDFISFSYYMSLSATASPEGDRSAGNLMGGVKNEYLESSDWGWQIDPKGLRWTLNDLYSRYELPLFIVENGLGAYDTVEEDGKIHDDYRIDYLRKHIEQMKEAIADGVDLMGYTSWGPIDLVSASTSEMSKRYGFIYVDQDDWGKGTLERSRKDSFFWYKKVIETNGEDLD
Complex: YLL_B_6(2JAL) / Model_41(2JAL/B) = [3.1] Download635.9334.78MTEVKKQFPKGFLWGGATAANQVEGAYDVDGKGLSTADMVKFIPKEERTKDLELDVSKAEIEAIIAGKVEGRFPKRDGVDFYHHYKEDIALFAEMGFKTFRLSLNWARIFPNGDDKEPNEKGLEFYDKVFDELLKYDIEPLVTLSHYETPLNLTLKYNGWADRRVIGFFTNYAETVFKRYKNKVKYWLTFNEINVISLSAYTGGGVLLEDAKNPLELSYQAGHHQFVASALATKLAHEIIPGSQVGCMLARMATYPATNNPDDILKAQYENQQNLFFTDVHARGEYPSFMNRFFQENDIHIVKEVGDDEILKAHTVDFISFSYYMSLSATASPEGDRSAGNLMGGVKNEYLESSDWGWQIDPKGLRWTLNDLYSRYELPLFIVENGLGAYDTVEEDGKIHDDYRIDYLRKHIEQMKEAIADGVDLMGYTSWGPIDLVSASTSEMSKRYGFIYVDQDDWGKGTLERSRKDSFFWYKKVIETNGEDLD
Complex: NOJ_A_3(1OIM) / Model_11(1OIM/A) = [3.3] Download563.9630.87MTEVKKQFPKGFLWGGATAANQVEGAYDVDGKGLSTADMVKFIPKEERTKDLELDVSKAEIEAIIAGKVEGRFPKRDGVDFYHHYKEDIALFAEMGFKTFRLSLNWARIFPNGDDKEPNEKGLEFYDKVFDELLKYDIEPLVTLSHYETPLNLTLKYNGWADRRVIGFFTNYAETVFKRYKNKVKYWLTFNEINVISLSAYTGGGVLLEDAKNPLELSYQAGHHQFVASALATKLAHEIIPGSQVGCMLARMATYPATNNPDDILKAQYENQQNLFFTDVHARGEYPSFMNRFFQENDIHIVKEVGDDEILKAHTVDFISFSYYMSLSATASPEGDRSAGNLMGGVKNEYLESSDWGWQIDPKGLRWTLNDLYSRYELPLFIVENGLGAYDTVEEDGKIHDDYRIDYLRKHIEQMKEAIADGVDLMGYTSWGPIDLVSASTSEMSKRYGFIYVDQDDWGKGTLERSRKDSFFWYKKVIETNGEDLD
Complex: CTS_B_6(2CBU) / Model_56(2CBU/B) = [3.4] Download609.0937.22MTEVKKQFPKGFLWGGATAANQVEGAYDVDGKGLSTADMVKFIPKEERTKDLELDVSKAEIEAIIAGKVEGRFPKRDGVDFYHHYKEDIALFAEMGFKTFRLSLNWARIFPNGDDKEPNEKGLEFYDKVFDELLKYDIEPLVTLSHYETPLNLTLKYNGWADRRVIGFFTNYAETVFKRYKNKVKYWLTFNEINVISLSAYTGGGVLLEDAKNPLELSYQAGHHQFVASALATKLAHEIIPGSQVGCMLARMATYPATNNPDDILKAQYENQQNLFFTDVHARGEYPSFMNRFFQENDIHIVKEVGDDEILKAHTVDFISFSYYMSLSATASPEGDRSAGNLMGGVKNEYLESSDWGWQIDPKGLRWTLNDLYSRYELPLFIVENGLGAYDTVEEDGKIHDDYRIDYLRKHIEQMKEAIADGVDLMGYTSWGPIDLVSASTSEMSKRYGFIYVDQDDWGKGTLERSRKDSFFWYKKVIETNGEDLD
Complex: 1FT_E_4(4IPN) / Model_21(4IPN/E) = [3.4] Download1133.6631.69MTEVKKQFPKGFLWGGATAANQVEGAYDVDGKGLSTADMVKFIPKEERTKDLELDVSKAEIEAIIAGKVEGRFPKRDGVDFYHHYKEDIALFAEMGFKTFRLSLNWARIFPNGDDKEPNEKGLEFYDKVFDELLKYDIEPLVTLSHYETPLNLTLKYNGWADRRVIGFFTNYAETVFKRYKNKVKYWLTFNEINVISLSAYTGGGVLLEDAKNPLELSYQAGHHQFVASALATKLAHEIIPGSQVGCMLARMATYPATNNPDDILKAQYENQQNLFFTDVHARGEYPSFMNRFFQENDIHIVKEVGDDEILKAHTVDFISFSYYMSLSATASPEGDRSAGNLMGGVKNEYLESSDWGWQIDPKGLRWTLNDLYSRYELPLFIVENGLGAYDTVEEDGKIHDDYRIDYLRKHIEQMKEAIADGVDLMGYTSWGPIDLVSASTSEMSKRYGFIYVDQDDWGKGTLERSRKDSFFWYKKVIETNGEDLD
Consensus
[pKd Mean = 3.26]
-674
(s=240)
33
(s=2)
MTEVKKQFPKGFLWGGATAANQVEGAYDVDGKGLSTADMVKFIPKEERTKDLELDVSKAEIEAIIAGKVEGRFPKRDGVDFYHHYKEDIALFAEMGFKTFRLSLNWARIFPNGDDKEPNEKGLEFYDKVFDELLKYDIEPLVTLSHYETPLNLTLKYNGWADRRVIGFFTNYAETVFKRYKNKVKYWLTFNEINVISLSAYTGGGVLLEDAKNPLELSYQAGHHQFVASALATKLAHEIIPGSQVGCMLARMATYPATNNPDDILKAQYENQQNLFFTDVHARGEYPSFMNRFFQENDIHIVKEVGDDEILKAHTVDFISFSYYMSLSATASPEGDRSAGNLMGGVKNEYLESSDWGWQIDPKGLRWTLNDLYSRYELPLFIVENGLGAYDTVEEDGKIHDDYRIDYLRKHIEQMKEAIADGVDLMGYTSWGPIDLVSASTSEMSKRYGFIYVDQDDWGKGTLERSRKDSFFWYKKVIETNGEDLD