Study : Lmo1954 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: HSX_A_9(4LRF) / Model_19(4LRF/A) = [3.1] Download850.088.79MPDKFKRVHVVVMDSVGIGEAPDAAKFGDFDVDTFGHIAKHVGGLKMPEMGKLGLSNIREIEGIKKAEKPLAYYTKMQEASNGKDTMTGHWEIMGLYIDTPFRVFPDGFPDDLINQIEEKTGRKVIGNKPASGTEIMAELGEEHVKTGALIVYTSADSVLQIAAHEDVVPLEELYEICEFCRKITLDDPYMLGRIIARPFVGEPGAFVRTPNRHDYALKPFKPTVMDALKDGGKDVIAIGKISDIFDGEGVTESIRTKSNMDGMDQFIAVLDKDFNGMSFLNLVDFDALFGHRRDPQGYADALVDFDGRLVEVMEKLTDDDLLIITADHGNDPTYTGTDHTREFVPLLVYSPRFKNGGSELELRKTFADLGATVADNFDVKMPEYGTSFLRDLK
Complex: HSX_A_9(4LR8) / Model_15(4LR8/A) = [3.4] Download751.966.47MPDKFKRVHVVVMDSVGIGEAPDAAKFGDFDVDTFGHIAKHVGGLKMPEMGKLGLSNIREIEGIKKAEKPLAYYTKMQEASNGKDTMTGHWEIMGLYIDTPFRVFPDGFPDDLINQIEEKTGRKVIGNKPASGTEIMAELGEEHVKTGALIVYTSADSVLQIAAHEDVVPLEELYEICEFCRKITLDDPYMLGRIIARPFVGEPGAFVRTPNRHDYALKPFKPTVMDALKDGGKDVIAIGKISDIFDGEGVTESIRTKSNMDGMDQFIAVLDKDFNGMSFLNLVDFDALFGHRRDPQGYADALVDFDGRLVEVMEKLTDDDLLIITADHGNDPTYTGTDHTREFVPLLVYSPRFKNGGSELELRKTFADLGATVADNFDVKMPEYGTSFLRDLK
Complex: HSX_A_10(4LR8) / Model_15(4LR8/A) = [3.5] Download785.25-2.52MPDKFKRVHVVVMDSVGIGEAPDAAKFGDFDVDTFGHIAKHVGGLKMPEMGKLGLSNIREIEGIKKAEKPLAYYTKMQEASNGKDTMTGHWEIMGLYIDTPFRVFPDGFPDDLINQIEEKTGRKVIGNKPASGTEIMAELGEEHVKTGALIVYTSADSVLQIAAHEDVVPLEELYEICEFCRKITLDDPYMLGRIIARPFVGEPGAFVRTPNRHDYALKPFKPTVMDALKDGGKDVIAIGKISDIFDGEGVTESIRTKSNMDGMDQFIAVLDKDFNGMSFLNLVDFDALFGHRRDPQGYADALVDFDGRLVEVMEKLTDDDLLIITADHGNDPTYTGTDHTREFVPLLVYSPRFKNGGSELELRKTFADLGATVADNFDVKMPEYGTSFLRDLK
Complex: G16_A_9(3OT9) / Model_79(3OT9/A) = [3.6] Download1431.794.83MPDKFKRVHVVVMDSVGIGEAPDAAKFGDFDVDTFGHIAKHVGGLKMPEMGKLGLSNIREIEGIKKAEKPLAYYTKMQEASNGKDTMTGHWEIMGLYIDTPFRVFPDGFPDDLINQIEEKTGRKVIGNKPASGTEIMAELGEEHVKTGALIVYTSADSVLQIAAHEDVVPLEELYEICEFCRKITLDDPYMLGRIIARPFVGEPGAFVRTPNRHDYALKPFKPTVMDALKDGGKDVIAIGKISDIFDGEGVTESIRTKSNMDGMDQFIAVLDKDFNGMSFLNLVDFDALFGHRRDPQGYADALVDFDGRLVEVMEKLTDDDLLIITADHGNDPTYTGTDHTREFVPLLVYSPRFKNGGSELELRKTFADLGATVADNFDVKMPEYGTSFLRDLK
Complex: G16_A_9(3OT9) / Model_9(3OT9/A) = [3.6] Download1370.764.83MPDKFKRVHVVVMDSVGIGEAPDAAKFGDFDVDTFGHIAKHVGGLKMPEMGKLGLSNIREIEGIKKAEKPLAYYTKMQEASNGKDTMTGHWEIMGLYIDTPFRVFPDGFPDDLINQIEEKTGRKVIGNKPASGTEIMAELGEEHVKTGALIVYTSADSVLQIAAHEDVVPLEELYEICEFCRKITLDDPYMLGRIIARPFVGEPGAFVRTPNRHDYALKPFKPTVMDALKDGGKDVIAIGKISDIFDGEGVTESIRTKSNMDGMDQFIAVLDKDFNGMSFLNLVDFDALFGHRRDPQGYADALVDFDGRLVEVMEKLTDDDLLIITADHGNDPTYTGTDHTREFVPLLVYSPRFKNGGSELELRKTFADLGATVADNFDVKMPEYGTSFLRDLK
Consensus
[pKd Mean = 3.44]
-1037
(s=298)
4
(s=3)
MPDKFKRVHVVVMDSVGIGEAPDAAKFGDFDVDTFGHIAKHVGGLKMPEMGKLGLSNIREIEGIKKAEKPLAYYTKMQEASNGKDTMTGHWEIMGLYIDTPFRVFPDGFPDDLINQIEEKTGRKVIGNKPASGTEIMAELGEEHVKTGALIVYTSADSVLQIAAHEDVVPLEELYEICEFCRKITLDDPYMLGRIIARPFVGEPGAFVRTPNRHDYALKPFKPTVMDALKDGGKDVIAIGKISDIFDGEGVTESIRTKSNMDGMDQFIAVLDKDFNGMSFLNLVDFDALFGHRRDPQGYADALVDFDGRLVEVMEKLTDDDLLIITADHGNDPTYTGTDHTREFVPLLVYSPRFKNGGSELELRKTFADLGATVADNFDVKMPEYGTSFLRDLK