Study : bsu02480 (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: GOL_B_4(3PZU) / Model_21(3PZU/B) = [3.1] Download602.7318.40MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQWYGDFVNKDSLKWLRDDWGITVFRAAMYTADGGYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQLKDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN
Complex: FCT_A_2(1H11) / Model_15(1H11/A) = [3.1] Download740.799.36MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQWYGDFVNKDSLKWLRDDWGITVFRAAMYTADGGYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQLKDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN
Complex: OXZ_A_6(1W3L) / Model_19(1W3L/A) = [3.5] Download323.5510.73MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQWYGDFVNKDSLKWLRDDWGITVFRAAMYTADGGYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQLKDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN
Complex: CBI_A_2(1QI0) / Model_25(1QI0/A) = [3.8] Download824.3710.61MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQWYGDFVNKDSLKWLRDDWGITVFRAAMYTADGGYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQLKDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN
Complex: CBI_A_2(1G0C) / Model_34(1G0C/A) = [3.9] Download869.0411.33MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQWYGDFVNKDSLKWLRDDWGITVFRAAMYTADGGYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQLKDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN
Consensus
[pKd Mean = 3.48]
-672
(s=196)
12
(s=3)
MKRSISIFITCLLIAVLTMGGLLPSPASAAGTKTPVAKNGQLSIKGTQLVNRDGKAVQLKGISSHGLQWYGDFVNKDSLKWLRDDWGITVFRAAMYTADGGYIDNPSVKNKVKEAVEAAKELGIYVIIDWHILNDGNPNQNKEKAKEFFKEMSSLYGNTPNVIYEIANEPNGDVNWKRDIKPYAEEVISVIRKNDPDNIIIVGTGTWSQDVNDAADDQLKDANVMYALHFYAGTHGQSLRDKANYALSKGAPIFVTEWGTSDASGNGGVFLDQSREWLNYLDSKNISWVNWNLSDKQESSSALKPGASKTGGWPLTDLTASGTFVRENIRGTKDSTKDVPETPAQDNPTQEKGVSVQYKAGDGRVNSNQIRPQLHIKNNGNATVDLKDVTARYWYNVKNKGQNFDCDYAQMGCGNLTHKFVTLHKPKQGADTYLELGFKTGTLSPGASTGNIQLRLHNDDWSNYAQSGDYSFFQSNTFKTTKKITLYHQGKLIWGTEPN