Study : Lmo1628 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: PLP_B_5(1TTP) / Model_45(1TTP/B) = [3.7] Download458.668.00MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND
Complex: F6F_B_4(2CLF) / Model_60(2CLF/B) = [4.0] Download568.8526.48MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND
Complex: PLP_B_6(1TTQ) / Model_44(1TTQ/B) = [4.2] Download361.448.74MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND
Complex: PLP_B_4(1A50) / Model_62(1A50/B) = [4.3] Download395.988.38MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND
Complex: PLP_B_7(1K7F) / Model_37(1K7F/B) = [4.3] Download331.395.41MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND
Consensus
[pKd Mean = 4.10]
-423
(s=84)
11
(s=7)
MTYQAPDENGFYGKFGGRFVPETLMKAVKELDEAYQASKTDPAFQKELNYYLKEYVGRETPLYFAEQLTAHAGGAKIYLKREDLNHTGAHKINNTIGQALLARQMGKQKVVAETGAGQHGVATATVAALFNMKCTIFMGEEDVKRQSLNVFRMELLGAKVVSVKAGSRTLKDAVNEALRFWVANVEDTHYIMGSVLGPHPFPEIVRDYQSVIGIEARKQHLEKEGKLPDAIVACVGGGSNAMGLFYPFVDDASVQMHGVEAAGHGLETEFHAATISKGEIGILHGAMMDVLQDENGQILEAFSISAGLDYPGIGPEHSFFRDLGRAAYHSVTDDEAVEAFQLLCRTEGIIPALESSHAISYAVKLASKMRPEESMVVCLSGRGDKDVNQLKERLEGQTND