Study : jhp_1439 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: 5RP_B_10(3OVQ) / Model_47(3OVQ/B) = [3.7] Download384.9633.88MKVAPSLLSADFMHLAKEIESVSNADFLHVDVMDGHYVPNLTMGPVILENVTQMSQVPLDVHLMVENASFFVELFAPLNPQIISIHAENEKHPHRVLQLIKSSGITPGIVLNPHTHEESIKYLLESVGLVLLMSVNPGFGGQKFLDLVLEKCLKVKELIKRYNPSCLLEVDGGVNDKNIFELQQAGVDVVVSGSYIFESKDRKLAIEGLQNVRQPLA
Complex: 5RP_A_4(3OVQ) / Model_10(3OVQ/A) = [4.1] Download360.3232.27MKVAPSLLSADFMHLAKEIESVSNADFLHVDVMDGHYVPNLTMGPVILENVTQMSQVPLDVHLMVENASFFVELFAPLNPQIISIHAENEKHPHRVLQLIKSSGITPGIVLNPHTHEESIKYLLESVGLVLLMSVNPGFGGQKFLDLVLEKCLKVKELIKRYNPSCLLEVDGGVNDKNIFELQQAGVDVVVSGSYIFESKDRKLAIEGLQNVRQPLA
Complex: 5SP_B_10(3OVR) / Model_46(3OVR/B) = [4.2] Download366.4632.27MKVAPSLLSADFMHLAKEIESVSNADFLHVDVMDGHYVPNLTMGPVILENVTQMSQVPLDVHLMVENASFFVELFAPLNPQIISIHAENEKHPHRVLQLIKSSGITPGIVLNPHTHEESIKYLLESVGLVLLMSVNPGFGGQKFLDLVLEKCLKVKELIKRYNPSCLLEVDGGVNDKNIFELQQAGVDVVVSGSYIFESKDRKLAIEGLQNVRQPLA
Complex: 5SP_A_4(3OVR) / Model_11(3OVR/A) = [4.4] Download359.1231.60MKVAPSLLSADFMHLAKEIESVSNADFLHVDVMDGHYVPNLTMGPVILENVTQMSQVPLDVHLMVENASFFVELFAPLNPQIISIHAENEKHPHRVLQLIKSSGITPGIVLNPHTHEESIKYLLESVGLVLLMSVNPGFGGQKFLDLVLEKCLKVKELIKRYNPSCLLEVDGGVNDKNIFELQQAGVDVVVSGSYIFESKDRKLAIEGLQNVRQPLA
Consensus
[pKd Mean = 4.10]
-367
(s=10)
32
(s=0)
MKVAPSLLSADFMHLAKEIESVSNADFLHVDVMDGHYVPNLTMGPVILENVTQMSQVPLDVHLMVENASFFVELFAPLNPQIISIHAENEKHPHRVLQLIKSSGITPGIVLNPHTHEESIKYLLESVGLVLLMSVNPGFGGQKFLDLVLEKCLKVKELIKRYNPSCLLEVDGGVNDKNIFELQQAGVDVVVSGSYIFESKDRKLAIEGLQNVRQPLA