Study : PA3217 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: TAT_C_10(1WC1) / Model_25(1WC1/B) = [3.7] Download1415.9313.44MKPTLPDRSPTSRSVASMREYYSRVLAYIACGASIAAGTYTQYFSYGILWMVPYALLYPHLAYHLGQRFRQHDPRKVTRALLAVDAVHCGLGMALLGFSVVPSLMFLLVLSFTALVIGGLRLLGMALLVSASSALLVAVLVAPPLLGNTPVEVAAVSILFCGLYICITAFFGHQQGLRLAQVRQEIAREQEKAARLARNLAKYLSPQVWEMIFSGKKSVRLETQRKKLTVFFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYGGTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISHETYSLIKDVIMCRDKGQIAVKGFSRPVQIYQVVDSRRDLGAAPSYVEHELPGFSMYLDTNNIQNYDKERVIQALQQAAERLRDKVIL
Complex: APC_B_9(2BW7) / Model_9(2BW7/A) = [3.7] Download1267.9915.27MKPTLPDRSPTSRSVASMREYYSRVLAYIACGASIAAGTYTQYFSYGILWMVPYALLYPHLAYHLGQRFRQHDPRKVTRALLAVDAVHCGLGMALLGFSVVPSLMFLLVLSFTALVIGGLRLLGMALLVSASSALLVAVLVAPPLLGNTPVEVAAVSILFCGLYICITAFFGHQQGLRLAQVRQEIAREQEKAARLARNLAKYLSPQVWEMIFSGKKSVRLETQRKKLTVFFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYGGTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISHETYSLIKDVIMCRDKGQIAVKGFSRPVQIYQVVDSRRDLGAAPSYVEHELPGFSMYLDTNNIQNYDKERVIQALQQAAERLRDKVIL
Complex: APC_D_16(2BW7) / Model_27(2BW7/C) = [3.8] Download1031.1915.79MKPTLPDRSPTSRSVASMREYYSRVLAYIACGASIAAGTYTQYFSYGILWMVPYALLYPHLAYHLGQRFRQHDPRKVTRALLAVDAVHCGLGMALLGFSVVPSLMFLLVLSFTALVIGGLRLLGMALLVSASSALLVAVLVAPPLLGNTPVEVAAVSILFCGLYICITAFFGHQQGLRLAQVRQEIAREQEKAARLARNLAKYLSPQVWEMIFSGKKSVRLETQRKKLTVFFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYGGTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISHETYSLIKDVIMCRDKGQIAVKGFSRPVQIYQVVDSRRDLGAAPSYVEHELPGFSMYLDTNNIQNYDKERVIQALQQAAERLRDKVIL
Complex: APC_C_11(1WC5) / Model_31(1WC5/B) = [3.9] Download1151.6717.38MKPTLPDRSPTSRSVASMREYYSRVLAYIACGASIAAGTYTQYFSYGILWMVPYALLYPHLAYHLGQRFRQHDPRKVTRALLAVDAVHCGLGMALLGFSVVPSLMFLLVLSFTALVIGGLRLLGMALLVSASSALLVAVLVAPPLLGNTPVEVAAVSILFCGLYICITAFFGHQQGLRLAQVRQEIAREQEKAARLARNLAKYLSPQVWEMIFSGKKSVRLETQRKKLTVFFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYGGTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISHETYSLIKDVIMCRDKGQIAVKGFSRPVQIYQVVDSRRDLGAAPSYVEHELPGFSMYLDTNNIQNYDKERVIQALQQAAERLRDKVIL
Complex: APC_B_5(1WC4) / Model_7(1WC4/A) = [4.1] Download1340.2614.00MKPTLPDRSPTSRSVASMREYYSRVLAYIACGASIAAGTYTQYFSYGILWMVPYALLYPHLAYHLGQRFRQHDPRKVTRALLAVDAVHCGLGMALLGFSVVPSLMFLLVLSFTALVIGGLRLLGMALLVSASSALLVAVLVAPPLLGNTPVEVAAVSILFCGLYICITAFFGHQQGLRLAQVRQEIAREQEKAARLARNLAKYLSPQVWEMIFSGKKSVRLETQRKKLTVFFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYGGTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISHETYSLIKDVIMCRDKGQIAVKGFSRPVQIYQVVDSRRDLGAAPSYVEHELPGFSMYLDTNNIQNYDKERVIQALQQAAERLRDKVIL
Consensus
[pKd Mean = 3.84]
-1241
(s=136)
15
(s=1)
MKPTLPDRSPTSRSVASMREYYSRVLAYIACGASIAAGTYTQYFSYGILWMVPYALLYPHLAYHLGQRFRQHDPRKVTRALLAVDAVHCGLGMALLGFSVVPSLMFLLVLSFTALVIGGLRLLGMALLVSASSALLVAVLVAPPLLGNTPVEVAAVSILFCGLYICITAFFGHQQGLRLAQVRQEIAREQEKAARLARNLAKYLSPQVWEMIFSGKKSVRLETQRKKLTVFFSDIRGFTELSEELEAEALTDLLNNYLNEMSKIALKYGGTIDKFVGDCVMVFFGDPSTQGAKKDAVAAVSMGIAMRKHMKVLRQQWRAQGITKPLEIRMGINTGYCTVGNFGADTRMDYTIIGREVNLASRLESASEAGEILISHETYSLIKDVIMCRDKGQIAVKGFSRPVQIYQVVDSRRDLGAAPSYVEHELPGFSMYLDTNNIQNYDKERVIQALQQAAERLRDKVIL