Study : SA1459 (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: ADP_D_10(3KO5) / Model_57(3KO5/D) = [3.1] Download884.3020.18MKVVVQRVKEASVTNDTLNNQIKKGYCLLVGIGQNSTEQDADVIAKKIANARLFEDDNNKLNFNIQQMNGEILSVSQFTLYADVKKGNRPGFSNSKNPDQAVKIYEYFNDALRAYGLTVKTGEFGTHMNVSINNDGPVTIIYESQDGKIQ
Complex: ADP_D_9(3KO4) / Model_63(3KO4/C) = [3.2] Download766.9820.62MKVVVQRVKEASVTNDTLNNQIKKGYCLLVGIGQNSTEQDADVIAKKIANARLFEDDNNKLNFNIQQMNGEILSVSQFTLYADVKKGNRPGFSNSKNPDQAVKIYEYFNDALRAYGLTVKTGEFGTHMNVSINNDGPVTIIYESQDGKIQ
Complex: ADP_B_8(3KO5) / Model_59(3KO5/B) = [3.2] Download706.5320.18MKVVVQRVKEASVTNDTLNNQIKKGYCLLVGIGQNSTEQDADVIAKKIANARLFEDDNNKLNFNIQQMNGEILSVSQFTLYADVKKGNRPGFSNSKNPDQAVKIYEYFNDALRAYGLTVKTGEFGTHMNVSINNDGPVTIIYESQDGKIQ
Complex: DHI_D_7(3KOC) / Model_51(3KOC/D) = [3.2] Download807.9034.38MKVVVQRVKEASVTNDTLNNQIKKGYCLLVGIGQNSTEQDADVIAKKIANARLFEDDNNKLNFNIQQMNGEILSVSQFTLYADVKKGNRPGFSNSKNPDQAVKIYEYFNDALRAYGLTVKTGEFGTHMNVSINNDGPVTIIYESQDGKIQ
Complex: ADP_C_9(3KO5) / Model_58(3KO5/C) = [3.3] Download1225.5019.23MKVVVQRVKEASVTNDTLNNQIKKGYCLLVGIGQNSTEQDADVIAKKIANARLFEDDNNKLNFNIQQMNGEILSVSQFTLYADVKKGNRPGFSNSKNPDQAVKIYEYFNDALRAYGLTVKTGEFGTHMNVSINNDGPVTIIYESQDGKIQ
Consensus
[pKd Mean = 3.20]
-878
(s=182)
22
(s=5)
MKVVVQRVKEASVTNDTLNNQIKKGYCLLVGIGQNSTEQDADVIAKKIANARLFEDDNNKLNFNIQQMNGEILSVSQFTLYADVKKGNRPGFSNSKNPDQAVKIYEYFNDALRAYGLTVKTGEFGTHMNVSINNDGPVTIIYESQDGKIQ