Study : jhp_0679 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: AMP_B_12(3DAH) / Model_21(3DAH/C) = [3.2] Download1349.9624.93MKARGFKTKMRGFKIFSGSAHPAFGKEVSKHLGFPLSKAVIGKFSDGEINIQISESVRGKDIFIIQPTCVPVNDNLMELLVMVDALRRSSANSITAVLPYFGYARQDRKAAPRVPITAKMVANLMQEVGIERIITMDLHAGQIQGFFDVPVDNLYGSIVFRDYIRSKALKNPIIASPDVGGVTRARYFANQMGLDLIIVDKRREKANESEVMNIIGSAKERDVILVDDMIDTAGTICKAALALKEQGATSVMALGTHAVLSGNAIKRIKESALDEVVVTNSIPLVQKCDKITTLSVASLFAEVIRRIYHNESVQSLFT
Complex: AMP_B_12(2HCR) / Model_28(2HCR/B) = [3.4] Download1101.4821.82MKARGFKTKMRGFKIFSGSAHPAFGKEVSKHLGFPLSKAVIGKFSDGEINIQISESVRGKDIFIIQPTCVPVNDNLMELLVMVDALRRSSANSITAVLPYFGYARQDRKAAPRVPITAKMVANLMQEVGIERIITMDLHAGQIQGFFDVPVDNLYGSIVFRDYIRSKALKNPIIASPDVGGVTRARYFANQMGLDLIIVDKRREKANESEVMNIIGSAKERDVILVDDMIDTAGTICKAALALKEQGATSVMALGTHAVLSGNAIKRIKESALDEVVVTNSIPLVQKCDKITTLSVASLFAEVIRRIYHNESVQSLFT
Complex: AMP_B_13(3DAH) / Model_22(3DAH/B) = [3.7] Download1315.8228.40MKARGFKTKMRGFKIFSGSAHPAFGKEVSKHLGFPLSKAVIGKFSDGEINIQISESVRGKDIFIIQPTCVPVNDNLMELLVMVDALRRSSANSITAVLPYFGYARQDRKAAPRVPITAKMVANLMQEVGIERIITMDLHAGQIQGFFDVPVDNLYGSIVFRDYIRSKALKNPIIASPDVGGVTRARYFANQMGLDLIIVDKRREKANESEVMNIIGSAKERDVILVDDMIDTAGTICKAALALKEQGATSVMALGTHAVLSGNAIKRIKESALDEVVVTNSIPLVQKCDKITTLSVASLFAEVIRRIYHNESVQSLFT
Complex: ABM_F_6(1DKU) / Model_23(1DKU/B) = [4.0] Download1575.1719.81MKARGFKTKMRGFKIFSGSAHPAFGKEVSKHLGFPLSKAVIGKFSDGEINIQISESVRGKDIFIIQPTCVPVNDNLMELLVMVDALRRSSANSITAVLPYFGYARQDRKAAPRVPITAKMVANLMQEVGIERIITMDLHAGQIQGFFDVPVDNLYGSIVFRDYIRSKALKNPIIASPDVGGVTRARYFANQMGLDLIIVDKRREKANESEVMNIIGSAKERDVILVDDMIDTAGTICKAALALKEQGATSVMALGTHAVLSGNAIKRIKESALDEVVVTNSIPLVQKCDKITTLSVASLFAEVIRRIYHNESVQSLFT
Complex: AMP_A_11(2HCR) / Model_5(2HCR/A) = [4.3] Download1200.7016.58MKARGFKTKMRGFKIFSGSAHPAFGKEVSKHLGFPLSKAVIGKFSDGEINIQISESVRGKDIFIIQPTCVPVNDNLMELLVMVDALRRSSANSITAVLPYFGYARQDRKAAPRVPITAKMVANLMQEVGIERIITMDLHAGQIQGFFDVPVDNLYGSIVFRDYIRSKALKNPIIASPDVGGVTRARYFANQMGLDLIIVDKRREKANESEVMNIIGSAKERDVILVDDMIDTAGTICKAALALKEQGATSVMALGTHAVLSGNAIKRIKESALDEVVVTNSIPLVQKCDKITTLSVASLFAEVIRRIYHNESVQSLFT
Consensus
[pKd Mean = 3.72]
-1308
(s=159)
22
(s=4)
MKARGFKTKMRGFKIFSGSAHPAFGKEVSKHLGFPLSKAVIGKFSDGEINIQISESVRGKDIFIIQPTCVPVNDNLMELLVMVDALRRSSANSITAVLPYFGYARQDRKAAPRVPITAKMVANLMQEVGIERIITMDLHAGQIQGFFDVPVDNLYGSIVFRDYIRSKALKNPIIASPDVGGVTRARYFANQMGLDLIIVDKRREKANESEVMNIIGSAKERDVILVDDMIDTAGTICKAALALKEQGATSVMALGTHAVLSGNAIKRIKESALDEVVVTNSIPLVQKCDKITTLSVASLFAEVIRRIYHNESVQSLFT