Study : Lmo1383 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FMN_C_8(3DH7) / Model_57(3DH7/C) = [5.8] Download1147.2315.97MQKNDDLLRERRKDEHVALGVKQNEQLAPSSLKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVSPEVAIQDGLQAIEMLEANALQIHINPAQELVMQEGDRSFSHWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIENDRRRDQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSLKKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK
Complex: FMN_A_5(1VCG) / Model_17(1VCG/A) = [5.8] Download1223.5611.91MQKNDDLLRERRKDEHVALGVKQNEQLAPSSLKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVSPEVAIQDGLQAIEMLEANALQIHINPAQELVMQEGDRSFSHWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIENDRRRDQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSLKKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK
Complex: FMN_B_6(3DH7) / Model_58(3DH7/B) = [5.9] Download1374.249.06MQKNDDLLRERRKDEHVALGVKQNEQLAPSSLKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVSPEVAIQDGLQAIEMLEANALQIHINPAQELVMQEGDRSFSHWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIENDRRRDQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSLKKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK
Complex: FMN_A_5(3DH7) / Model_15(3DH7/A) = [6.1] Download1167.249.07MQKNDDLLRERRKDEHVALGVKQNEQLAPSSLKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVSPEVAIQDGLQAIEMLEANALQIHINPAQELVMQEGDRSFSHWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIENDRRRDQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSLKKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK
Complex: FMN_M_13(1P0N) / Model_21(1P0N/B) = [6.5] Download1367.9223.96MQKNDDLLRERRKDEHVALGVKQNEQLAPSSLKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVSPEVAIQDGLQAIEMLEANALQIHINPAQELVMQEGDRSFSHWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIENDRRRDQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSLKKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK
Consensus
[pKd Mean = 6.02]
-1256
(s=97)
13
(s=5)
MQKNDDLLRERRKDEHVALGVKQNEQLAPSSLKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVSPEVAIQDGLQAIEMLEANALQIHINPAQELVMQEGDRSFSHWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIENDRRRDQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSLKKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK