Study : Wbm0778 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: GOL_A_3(3TX1) / Model_1(3TX1/A) = [3.1] Download832.5416.70MPISLPKVRGIYRYSVLMSKITWLNVGGQADILFKPRDIEDLIYLIKNTKLPISVIGATSNMIVRDSGIRGITVKLGKEFAYIKYKSNNSIIAGGAALLSNLAYFAGEQQVSGLEFLVGIPGTIGGGIEMNAGAYGSDVASVVQSIKAVNLSDGNLYEFSSKEMGYVYRGHSLKGQWIFIEAEFKGVSSGHEVILHRLKEIINKKNKSQPVRGKTAGCIFKNPRAYQAWKLIDGSGCRGLNNGGAKISKKHCNFLLNYNNATASDLENLGNKVRNTVKDKFNIELEWEIRVLGSH
Complex: GOL_A_4(3TX1) / Model_24(3TX1/A) = [3.2] Download768.5519.67MPISLPKVRGIYRYSVLMSKITWLNVGGQADILFKPRDIEDLIYLIKNTKLPISVIGATSNMIVRDSGIRGITVKLGKEFAYIKYKSNNSIIAGGAALLSNLAYFAGEQQVSGLEFLVGIPGTIGGGIEMNAGAYGSDVASVVQSIKAVNLSDGNLYEFSSKEMGYVYRGHSLKGQWIFIEAEFKGVSSGHEVILHRLKEIINKKNKSQPVRGKTAGCIFKNPRAYQAWKLIDGSGCRGLNNGGAKISKKHCNFLLNYNNATASDLENLGNKVRNTVKDKFNIELEWEIRVLGSH
Complex: GOL_A_4(3TX1) / Model_1(3TX1/A) = [3.2] Download535.1619.67MPISLPKVRGIYRYSVLMSKITWLNVGGQADILFKPRDIEDLIYLIKNTKLPISVIGATSNMIVRDSGIRGITVKLGKEFAYIKYKSNNSIIAGGAALLSNLAYFAGEQQVSGLEFLVGIPGTIGGGIEMNAGAYGSDVASVVQSIKAVNLSDGNLYEFSSKEMGYVYRGHSLKGQWIFIEAEFKGVSSGHEVILHRLKEIINKKNKSQPVRGKTAGCIFKNPRAYQAWKLIDGSGCRGLNNGGAKISKKHCNFLLNYNNATASDLENLGNKVRNTVKDKFNIELEWEIRVLGSH
Consensus
[pKd Mean = 3.17]
-712
(s=127)
18
(s=1)
MPISLPKVRGIYRYSVLMSKITWLNVGGQADILFKPRDIEDLIYLIKNTKLPISVIGATSNMIVRDSGIRGITVKLGKEFAYIKYKSNNSIIAGGAALLSNLAYFAGEQQVSGLEFLVGIPGTIGGGIEMNAGAYGSDVASVVQSIKAVNLSDGNLYEFSSKEMGYVYRGHSLKGQWIFIEAEFKGVSSGHEVILHRLKEIINKKNKSQPVRGKTAGCIFKNPRAYQAWKLIDGSGCRGLNNGGAKISKKHCNFLLNYNNATASDLENLGNKVRNTVKDKFNIELEWEIRVLGSH