Study : Lmo1451 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: F3S_B_9(3F7T) / Model_35(3F7T/B) = [3.1] Download272.4415.39MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Complex: F3S_A_3(3F7T) / Model_13(3F7T/A) = [3.2] Download213.7611.60MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Complex: F3S_B_5(3KEF) / Model_23(3KEF/B) = [3.4] Download186.6020.35MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Complex: F3S_A_3(3KEF) / Model_3(3KEF/A) = [3.4] Download184.9520.35MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Complex: F3S_A_4(3KEM) / Model_5(3KEM/A) = [3.4] Download200.3220.35MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Consensus
[pKd Mean = 3.30]
-211
(s=32)
17
(s=3)
MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS