Study : Rv0760c (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: NCA_D_10(2Z77) / Model_22(2Z77/D) = [3.3] Download280.1351.17MTQTTQSPALIASQSSWRCVQAHDREGWLALMADDVVIEDPIGKSVTNPDGSGIKGKEAVGAFFDTHIAANRLTVTCEETFPSSSPDEIAHILVLHSEFDGGFTSEVRGVFTYRVNKAGLITNMRGYWNLDMMTFGNQE
Complex: NCA_A_2(2A15) / Model_26(2A15/A) = [3.7] Download278.2451.17MTQTTQSPALIASQSSWRCVQAHDREGWLALMADDVVIEDPIGKSVTNPDGSGIKGKEAVGAFFDTHIAANRLTVTCEETFPSSSPDEIAHILVLHSEFDGGFTSEVRGVFTYRVNKAGLITNMRGYWNLDMMTFGNQE
Complex: NCA_A_2(2A15) / Model_1(2A15/A) = [3.7] Download278.2451.17MTQTTQSPALIASQSSWRCVQAHDREGWLALMADDVVIEDPIGKSVTNPDGSGIKGKEAVGAFFDTHIAANRLTVTCEETFPSSSPDEIAHILVLHSEFDGGFTSEVRGVFTYRVNKAGLITNMRGYWNLDMMTFGNQE
Complex: LDA_A_6(2Z76) / Model_2(2Z76/A) = [4.4] Download1013.4948.86MTQTTQSPALIASQSSWRCVQAHDREGWLALMADDVVIEDPIGKSVTNPDGSGIKGKEAVGAFFDTHIAANRLTVTCEETFPSSSPDEIAHILVLHSEFDGGFTSEVRGVFTYRVNKAGLITNMRGYWNLDMMTFGNQE
Complex: HE7_A_9(2Z77) / Model_3(2Z77/A) = [4.5] Download966.1932.86MTQTTQSPALIASQSSWRCVQAHDREGWLALMADDVVIEDPIGKSVTNPDGSGIKGKEAVGAFFDTHIAANRLTVTCEETFPSSSPDEIAHILVLHSEFDGGFTSEVRGVFTYRVNKAGLITNMRGYWNLDMMTFGNQE
Consensus
[pKd Mean = 3.92]
-563
(s=348)
47
(s=7)
MTQTTQSPALIASQSSWRCVQAHDREGWLALMADDVVIEDPIGKSVTNPDGSGIKGKEAVGAFFDTHIAANRLTVTCEETFPSSSPDEIAHILVLHSEFDGGFTSEVRGVFTYRVNKAGLITNMRGYWNLDMMTFGNQE