Study : Rv2895c (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: ACY_A_14(2GPJ) / Model_1(2GPJ/A) = [3.3] Download422.1316.71MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
Complex: ACY_A_14(2GPJ) / Model_21(2GPJ/A) = [3.3] Download313.047.93MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
Complex: FAD_A_3(4YHB) / Model_41(4YHB/A) = [12.1] Download591.8112.91MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
Complex: FAD_A_3(4YHB) / Model_2(4YHB/A) = [12.5] Download587.4620.25MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
Complex: FAD_A_3(4YHB) / Model_22(4YHB/A) = [12.5] Download658.5810.38MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH
Consensus
[pKd Mean = 8.74]		-514
(s=127)		13
(s=4)		MAGRPLHAFEVVATRHLAPHMVRVVLGGSGFDTFVPSDFTDSYIKLVFVDDDVDVGRLPRPLTLDSFADLPTAKRPPVRTMTVRHVDAAAREIAVDIVLHGEHGVAGPWAAGAQRGQPIYLMGPGGAYAPDPAADWHLLAGDESAIPAIAAALEALPPDAIGRAFIEVAGPDDEIGLTAPDAVEVNWVYRGGRADLVPEDRAGDHAPLIEAVTTTAWLPGQVHVFIHGEAQAVMHNLRPYVRNERGVDAKWASSISGYWRRGRTEEMFRKWKKELAEAEAGTH