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: SF4_B_5(3ZGN) / Model_26(3ZGN/B) = [3.4] Download282.9322.67MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Complex: F3S_A_4(3KEM) / Model_5(3KEM/A) = [3.4] Download200.3220.35MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Complex: F3S_A_3(3KEL) / Model_4(3KEL/A) = [3.4] Download266.9314.19MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS
Consensus
[pKd Mean = 3.30]
-247
(s=33)
16
(s=4)
MEIIKISPRGYCYGVIDAMVIAKNASLDPNLPRPIHILGMIVHNKHVTDAFESIGIYTVDGANREEILDKITTGTVIFTAHGVSPSVKAKAVAKGLTTIDATCPDVLHTYNLILEKQAAGYEIIYIGKKGHPEPEGAYGTAPDVVHLVETKADIDALSLLSDKIFVTNQTTMSKWDVADLMHYIKGKFPKAIQHQEICMATQVRQEAVALQAKDADLTIVVGDPRSNNTARLAQVSIEKAGTKAYRIADITELDIEWIKDAKKVAVTAGASTPTQLVREVLLFLEQFDAADKTTWKREHNQDFERILPKTKNKYMAEKRSQRLAHLKNGGS