Study : PF00089_CEL2A_RAT (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: 1NB_B_2(1BRU) / Model_1(1BRU/P) = [3.1] Download695.4611.11MIRTLLLSALVAGALSCGYPTYEVQHDVSRVVGGQEASPNSWPWQVSLQYLSSGKWHHTCGGSLVANNWVLTAAHCISNSRTYRVLLGRHSLSTSESGSLAVQVSKLVVHEKWNAQKLSNGNDIALVKLASPVALTSKIQTACLPPAGTILPNNYPCYVTGWGRLQTNGATPDVLQQGRLLVVDYATCSSASWWGSSVKTNMVCAGGDGVTSSCNGDSGGPLNCQASNGQWQVHGIVSFGSTLGCNYPRKPSVFTRVSNYIDWINSVIAKN
Complex: CHAIN_E_5(2F9N) / Model_53(2F9N/A) = [3.1] Download--MIRTLLLSALVAGALSCGYPTYEVQHDVSRVVGGQEASPNSWPWQVSLQYLSSGKWHHTCGGSLVANNWVLTAAHCISNSRTYRVLLGRHSLSTSESGSLAVQVSKLVVHEKWNAQKLSNGNDIALVKLASPVALTSKIQTACLPPAGTILPNNYPCYVTGWGRLQTNGATPDVLQQGRLLVVDYATCSSASWWGSSVKTNMVCAGGDGVTSSCNGDSGGPLNCQASNGQWQVHGIVSFGSTLGCNYPRKPSVFTRVSNYIDWINSVIAKN
Complex: GOL_A_13(1L1G) / Model_10(1L1G/A) = [3.3] Download588.2330.70MIRTLLLSALVAGALSCGYPTYEVQHDVSRVVGGQEASPNSWPWQVSLQYLSSGKWHHTCGGSLVANNWVLTAAHCISNSRTYRVLLGRHSLSTSESGSLAVQVSKLVVHEKWNAQKLSNGNDIALVKLASPVALTSKIQTACLPPAGTILPNNYPCYVTGWGRLQTNGATPDVLQQGRLLVVDYATCSSASWWGSSVKTNMVCAGGDGVTSSCNGDSGGPLNCQASNGQWQVHGIVSFGSTLGCNYPRKPSVFTRVSNYIDWINSVIAKN
Complex: 616_A_3(1HV7) / Model_6(1HV7/A) = [3.6] Download1706.649.89MIRTLLLSALVAGALSCGYPTYEVQHDVSRVVGGQEASPNSWPWQVSLQYLSSGKWHHTCGGSLVANNWVLTAAHCISNSRTYRVLLGRHSLSTSESGSLAVQVSKLVVHEKWNAQKLSNGNDIALVKLASPVALTSKIQTACLPPAGTILPNNYPCYVTGWGRLQTNGATPDVLQQGRLLVVDYATCSSASWWGSSVKTNMVCAGGDGVTSSCNGDSGGPLNCQASNGQWQVHGIVSFGSTLGCNYPRKPSVFTRVSNYIDWINSVIAKN
Complex: CHAIN_L_2(2WPH) / Model_51(2WPH/S) = [3.8] Download--MIRTLLLSALVAGALSCGYPTYEVQHDVSRVVGGQEASPNSWPWQVSLQYLSSGKWHHTCGGSLVANNWVLTAAHCISNSRTYRVLLGRHSLSTSESGSLAVQVSKLVVHEKWNAQKLSNGNDIALVKLASPVALTSKIQTACLPPAGTILPNNYPCYVTGWGRLQTNGATPDVLQQGRLLVVDYATCSSASWWGSSVKTNMVCAGGDGVTSSCNGDSGGPLNCQASNGQWQVHGIVSFGSTLGCNYPRKPSVFTRVSNYIDWINSVIAKN
Consensus
[pKd Mean = 3.38]
-996
(s=503)
17
(s=9)
MIRTLLLSALVAGALSCGYPTYEVQHDVSRVVGGQEASPNSWPWQVSLQYLSSGKWHHTCGGSLVANNWVLTAAHCISNSRTYRVLLGRHSLSTSESGSLAVQVSKLVVHEKWNAQKLSNGNDIALVKLASPVALTSKIQTACLPPAGTILPNNYPCYVTGWGRLQTNGATPDVLQQGRLLVVDYATCSSASWWGSSVKTNMVCAGGDGVTSSCNGDSGGPLNCQASNGQWQVHGIVSFGSTLGCNYPRKPSVFTRVSNYIDWINSVIAKN