Study : bsu29460 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: AMP_A_3(1UUY) / Model_48(1UUY/A) = [3.3] Download1449.120.43MSVQEHKQEAPDIVRCKVITVSDTRTDETDKSGKLMISFLEEAGHHIAAYEIVKDEKDALQRSVLAGCMDEQTDAVLLNGGTGIADRDVTIEAITPLFSKELPGFGEIFRMLSYTEDIGSAAIMSRATAGVIQHTAVFSTPGSSGAVKLAMNKLIIPELAHVVREIRKDK
Complex: AMP_A_3(1UUY) / Model_16(1UUY/A) = [3.3] Download1331.640.26MSVQEHKQEAPDIVRCKVITVSDTRTDETDKSGKLMISFLEEAGHHIAAYEIVKDEKDALQRSVLAGCMDEQTDAVLLNGGTGIADRDVTIEAITPLFSKELPGFGEIFRMLSYTEDIGSAAIMSRATAGVIQHTAVFSTPGSSGAVKLAMNKLIIPELAHVVREIRKDK
Complex: GOL_B_10(3IWT) / Model_24(3IWT/B) = [3.4] Download640.67-2.23MSVQEHKQEAPDIVRCKVITVSDTRTDETDKSGKLMISFLEEAGHHIAAYEIVKDEKDALQRSVLAGCMDEQTDAVLLNGGTGIADRDVTIEAITPLFSKELPGFGEIFRMLSYTEDIGSAAIMSRATAGVIQHTAVFSTPGSSGAVKLAMNKLIIPELAHVVREIRKDK
Consensus
[pKd Mean = 3.33]
-1140
(s=356)
0
(s=1)
MSVQEHKQEAPDIVRCKVITVSDTRTDETDKSGKLMISFLEEAGHHIAAYEIVKDEKDALQRSVLAGCMDEQTDAVLLNGGTGIADRDVTIEAITPLFSKELPGFGEIFRMLSYTEDIGSAAIMSRATAGVIQHTAVFSTPGSSGAVKLAMNKLIIPELAHVVREIRKDK