Study : bsu30610 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_A_5(2Q0H) / Model_74(2Q0H/A) = [3.4] Download461.394.17MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH
Complex: ATP_C_3(1VCI) / Model_40(1VCI/A) = [3.5] Download699.412.46MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH
Complex: AGS_B_6(3C4J) / Model_71(3C4J/B) = [3.5] Download682.228.50MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH
Complex: ADP_D_7(4HLU) / Model_102(4HLU/D) = [3.6] Download713.4719.00MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH
Complex: ADP_B_3(3J15) / Model_92(3J15/B) = [3.8] Download711.372.08MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH
Consensus
[pKd Mean = 3.56]
-653
(s=96)
7
(s=6)
MSFLHVDHVTHTYFSIKEKTTAVRDIHFDAEKGDFISFLGPSGCGKTTLLSIIAGLIEPSEGRVLIEGREPNQKEHNIGYMLQQDYLFPWKSIEENVLLGLKIADTLTEESKAAALGLLPEFGLIDVEKKYPKELSGGMRQRAALARTLAPNPSLLLLDEPFSALDFQTKLSLENLVFRTLKEYQKTAVLVTHDIGEAIAMSDTIFLFSNQPGTIHQIFTIPKELAAMLPFDARQEPSFQTLFQTIWKELNSLEKQQRNH