Study : Rv0414c (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: POP_B_9(1G6C) / Model_27(1G6C/B) = [3.1] Download510.16-6.44MHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGINAQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN
Complex: POP_B_9(1G67) / Model_29(1G67/B) = [3.1] Download478.09-1.78MHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGINAQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN
Complex: POP_A_6(1G6C) / Model_10(1G6C/A) = [3.2] Download381.49-0.61MHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGINAQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN
Complex: POP_A_6(1G67) / Model_12(1G67/A) = [3.2] Download518.71-0.06MHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGINAQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN
Complex: POP_A_6(1G69) / Model_11(1G69/A) = [3.3] Download534.691.41MHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGINAQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN
Consensus
[pKd Mean = 3.18]
-484
(s=54)
-1
(s=2)
MHESRLASARLYLCTDARRERGDLAQFAEAALAGGVDIIQLRDKGSPGELRFGPLQARDELAACEILADAAHRYGALFAVNDRADIARAAGADVLHLGQRDLPVNVARQILAPDTLIGRSTHDPDQVAAAAAGDADYFCVGPCWPTPTKPGRAAPGLGLVRVAAELGGDDKPWFAIGGINAQRLPAVLDAGARRIVVVRAITSADDPRAAAEQLRSALTAAN