Study : jhp_1207 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: HMH_I_9(1YAK) / Model_4(1YAK/A) = [3.2] Download287.0328.00MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS
Complex: HMH_K_11(1YAK) / Model_21(1YAK/D) = [3.3] Download316.6228.00MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS
Complex: IMD_A_2(3MVU) / Model_10(3MVU/A) = [3.9] Download156.6330.55MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS
Complex: PF1_A_3(2QCX) / Model_5(2QCX/A) = [4.2] Download451.7423.36MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS
Consensus
[pKd Mean = 3.65]
-303
(s=104)
27
(s=2)
MQVSQYLYQNAQSIWGDCISHPFVQGIGRGTLERDKFRFYIIQDYLFLLEYAKVFALGVVKACDEAVMREFSNAIQDILNNEMSIHNHYIRELQITQKELQNACPTLANKSYTSYMLAEGFKGSIKEVAVAVLACGWSYLVIAQNLSQIPNALEDAFYGHWIKGYSSKEFQACVTWNINLLDSLALASSKQEIEKLKEIFIATSEYEYQFWDMAYQS