Study : bsu36410 (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: ANP_A_3(1JCG) / Model_2(1JCG/A) = [6.8] Download912.0412.45MFARDIGIDLGTANVLIHVKGKGIVLNEPSVVALDKNSGKVLAVGEEARRMVGRTPGNIVAIRPLKDGVIADFEVTEAMLKHFINKLNVKGLFSKPRMLICCPTNITSVEQKAIKEAAEKSGGKHVYLEEEPKVAAIGAGMEIFQPSGNMVVDIGGGTTDIAVISMGDIVTSSSIKMAGDKFDMEILNYIKREYKLLIGERTAEDIKIKVATVFPDARHEEISIRGRDMVSGLPRTITVNSKEVEEALRESVAVIVQAAKQVLERTPPELSADIIDRGVIITGGGALLNGLDQLLAEELKVPVLVAENPMDCVAIGTGVMLDNMDKLPKRKLS
Complex: ADP_A_3(4CZG) / Model_7(4CZG/A) = [7.2] Download819.8410.42MFARDIGIDLGTANVLIHVKGKGIVLNEPSVVALDKNSGKVLAVGEEARRMVGRTPGNIVAIRPLKDGVIADFEVTEAMLKHFINKLNVKGLFSKPRMLICCPTNITSVEQKAIKEAAEKSGGKHVYLEEEPKVAAIGAGMEIFQPSGNMVVDIGGGTTDIAVISMGDIVTSSSIKMAGDKFDMEILNYIKREYKLLIGERTAEDIKIKVATVFPDARHEEISIRGRDMVSGLPRTITVNSKEVEEALRESVAVIVQAAKQVLERTPPELSADIIDRGVIITGGGALLNGLDQLLAEELKVPVLVAENPMDCVAIGTGVMLDNMDKLPKRKLS
Complex: ADP_A_3(4CZG) / Model_24(4CZG/A) = [7.2] Download909.5310.42MFARDIGIDLGTANVLIHVKGKGIVLNEPSVVALDKNSGKVLAVGEEARRMVGRTPGNIVAIRPLKDGVIADFEVTEAMLKHFINKLNVKGLFSKPRMLICCPTNITSVEQKAIKEAAEKSGGKHVYLEEEPKVAAIGAGMEIFQPSGNMVVDIGGGTTDIAVISMGDIVTSSSIKMAGDKFDMEILNYIKREYKLLIGERTAEDIKIKVATVFPDARHEEISIRGRDMVSGLPRTITVNSKEVEEALRESVAVIVQAAKQVLERTPPELSADIIDRGVIITGGGALLNGLDQLLAEELKVPVLVAENPMDCVAIGTGVMLDNMDKLPKRKLS
Complex: ADP_A_3(4CZL) / Model_12(4CZL/A) = [7.2] Download997.5512.72MFARDIGIDLGTANVLIHVKGKGIVLNEPSVVALDKNSGKVLAVGEEARRMVGRTPGNIVAIRPLKDGVIADFEVTEAMLKHFINKLNVKGLFSKPRMLICCPTNITSVEQKAIKEAAEKSGGKHVYLEEEPKVAAIGAGMEIFQPSGNMVVDIGGGTTDIAVISMGDIVTSSSIKMAGDKFDMEILNYIKREYKLLIGERTAEDIKIKVATVFPDARHEEISIRGRDMVSGLPRTITVNSKEVEEALRESVAVIVQAAKQVLERTPPELSADIIDRGVIITGGGALLNGLDQLLAEELKVPVLVAENPMDCVAIGTGVMLDNMDKLPKRKLS
Complex: ANP_A_3(4CZK) / Model_11(4CZK/A) = [7.3] Download1063.2617.59MFARDIGIDLGTANVLIHVKGKGIVLNEPSVVALDKNSGKVLAVGEEARRMVGRTPGNIVAIRPLKDGVIADFEVTEAMLKHFINKLNVKGLFSKPRMLICCPTNITSVEQKAIKEAAEKSGGKHVYLEEEPKVAAIGAGMEIFQPSGNMVVDIGGGTTDIAVISMGDIVTSSSIKMAGDKFDMEILNYIKREYKLLIGERTAEDIKIKVATVFPDARHEEISIRGRDMVSGLPRTITVNSKEVEEALRESVAVIVQAAKQVLERTPPELSADIIDRGVIITGGGALLNGLDQLLAEELKVPVLVAENPMDCVAIGTGVMLDNMDKLPKRKLS
Consensus
[pKd Mean = 7.14]
-940
(s=83)
12
(s=2)
MFARDIGIDLGTANVLIHVKGKGIVLNEPSVVALDKNSGKVLAVGEEARRMVGRTPGNIVAIRPLKDGVIADFEVTEAMLKHFINKLNVKGLFSKPRMLICCPTNITSVEQKAIKEAAEKSGGKHVYLEEEPKVAAIGAGMEIFQPSGNMVVDIGGGTTDIAVISMGDIVTSSSIKMAGDKFDMEILNYIKREYKLLIGERTAEDIKIKVATVFPDARHEEISIRGRDMVSGLPRTITVNSKEVEEALRESVAVIVQAAKQVLERTPPELSADIIDRGVIITGGGALLNGLDQLLAEELKVPVLVAENPMDCVAIGTGVMLDNMDKLPKRKLS