Study : SA1277 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: SAH_A_2(3LDG) / Model_39(3LDG/A) = [6.1] Download884.0022.58MFQLLAVCPMGLEAVVAREIQELGYETNVENGRIFFEGDASAIVKANLWLRTADRIKIVVGRFNATTFDELFEQTKALPWESIIDKEGNFPVQGRSVKSTLHSVPDCQAITKKAIVERLRRAYNEKGWLNESGAKYPVEVAILKDNVLLTIDTSGSGLNRRGYRLAQGEAPIKETLAASLIRLANWKGDTPLIDPFCGSGTIAIEACLIAQNIAPGFNREFVSEQWNIMPANIYDDYRDEADKMADYDKEIEVYASDIDPEMVEIAKRNAEEVGLSDIIKFSVKDVNTLTIDTEEPVALIGNPPYGERIGDREEVEEMYRYIGKLMKQHPFLSTYILTSNKEFEYLVNRKATKRRKLFNGYIECTYYQYWGKKTERKTIEN
Complex: GTP_A_2(3LDU) / Model_3(3LDU/A) = [6.3] Download1001.0819.93MFQLLAVCPMGLEAVVAREIQELGYETNVENGRIFFEGDASAIVKANLWLRTADRIKIVVGRFNATTFDELFEQTKALPWESIIDKEGNFPVQGRSVKSTLHSVPDCQAITKKAIVERLRRAYNEKGWLNESGAKYPVEVAILKDNVLLTIDTSGSGLNRRGYRLAQGEAPIKETLAASLIRLANWKGDTPLIDPFCGSGTIAIEACLIAQNIAPGFNREFVSEQWNIMPANIYDDYRDEADKMADYDKEIEVYASDIDPEMVEIAKRNAEEVGLSDIIKFSVKDVNTLTIDTEEPVALIGNPPYGERIGDREEVEEMYRYIGKLMKQHPFLSTYILTSNKEFEYLVNRKATKRRKLFNGYIECTYYQYWGKKTERKTIEN
Consensus
[pKd Mean = 6.20]
-942
(s=58)
21
(s=1)
MFQLLAVCPMGLEAVVAREIQELGYETNVENGRIFFEGDASAIVKANLWLRTADRIKIVVGRFNATTFDELFEQTKALPWESIIDKEGNFPVQGRSVKSTLHSVPDCQAITKKAIVERLRRAYNEKGWLNESGAKYPVEVAILKDNVLLTIDTSGSGLNRRGYRLAQGEAPIKETLAASLIRLANWKGDTPLIDPFCGSGTIAIEACLIAQNIAPGFNREFVSEQWNIMPANIYDDYRDEADKMADYDKEIEVYASDIDPEMVEIAKRNAEEVGLSDIIKFSVKDVNTLTIDTEEPVALIGNPPYGERIGDREEVEEMYRYIGKLMKQHPFLSTYILTSNKEFEYLVNRKATKRRKLFNGYIECTYYQYWGKKTERKTIEN