Study : Rv3568c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: BP7_A_4(2EI0) / Model_29(2EI0/A) = [3.1] Download741.0628.00MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVPGEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHRRVVSPYGHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLPMPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCEGRQVDDRDWIARESTAVSLWGHDFTVGARG
Complex: D1N_A_4(2EI1) / Model_28(2EI1/A) = [3.1] Download492.6836.12MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVPGEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHRRVVSPYGHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLPMPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCEGRQVDDRDWIARESTAVSLWGHDFTVGARG
Complex: BPY_B_3(1KW6) / Model_13(1KW6/B) = [4.1] Download430.6536.70MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVPGEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHRRVVSPYGHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLPMPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCEGRQVDDRDWIARESTAVSLWGHDFTVGARG
Complex: BPY_B_3(1KW9) / Model_15(1KW9/B) = [4.1] Download496.7936.70MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVPGEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHRRVVSPYGHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLPMPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCEGRQVDDRDWIARESTAVSLWGHDFTVGARG
Complex: BPY_B_4(1KW8) / Model_14(1KW8/B) = [4.2] Download570.1136.70MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVPGEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHRRVVSPYGHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLPMPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCEGRQVDDRDWIARESTAVSLWGHDFTVGARG
Consensus
[pKd Mean = 3.72]		-546
(s=106)		34
(s=3)		MSIRSLGYLRIEATDMAAWREYGLKVLGMVEGKGAPEGALYLRMDDFPARLVVVPGEHDRLLEAGWECANAEGLQEIRNRLDLEGTPYKEATAAELADRRVDEMIRFADPSGNCLEVFHGTALEHRRVVSPYGHRFVTGEQGMGHVVLSTRDDAEALHFYRDVLGFRLRDSMRLPPQMVGRPADGPPAWLRFFGCNPRHHSLAFLPMPTSSGIVHLMVEVEQADDVGLCLDRALRRKVPMSATLGRHVNDLMLSFYMKTPGGFDIEFGCEGRQVDDRDWIARESTAVSLWGHDFTVGARG