Study : bsu02550 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: EDO_B_24(5DCL) / Model_55(5DCL/B) = [3.5] Download243.3918.00MLVEDDHSISEMVDHYLTKEGFGIVHAFDGEEGIRLFQQGSYDLVLLDIMLPKLNGMDFLKIIREKSNIPVLMISAKDGDVDKALGLGFGADDYIAKPFSMIELTARVKAAIRRATQYSAEEPAVNKVIRIHQLAIDIDNVSVLKNGEPLQLTSTEWQLLCLFASNPKKVFTKEQIYRSVWNEEYFDDQNIINVHMRRLREKIEDDPSSPQYIKTLWGIGYKLGEF
Consensus
[pKd Mean = 3.50]
-243
(s=0)
18
(s=0)
MLVEDDHSISEMVDHYLTKEGFGIVHAFDGEEGIRLFQQGSYDLVLLDIMLPKLNGMDFLKIIREKSNIPVLMISAKDGDVDKALGLGFGADDYIAKPFSMIELTARVKAAIRRATQYSAEEPAVNKVIRIHQLAIDIDNVSVLKNGEPLQLTSTEWQLLCLFASNPKKVFTKEQIYRSVWNEEYFDDQNIINVHMRRLREKIEDDPSSPQYIKTLWGIGYKLGEF