Study : Wbm0278 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: PPV_A_3(4RL4) / Model_2(4RL4/A) = [3.6] Download456.2010.27MFIGNRNRNKVERAISEIRRGLPIIIYDKSNYLLVAAAETLEKDLFNQYGLISGKIYVILPSSKVTCISQNVEHSSKRLLINNFDELFHLVNCSKEDHTKELQRSKAIDECAITLLKSSELLPYALVVDVNFKDEYEMRGWCEKSDVIALDVLFINNFQQNQDIYEVCKTPLFLKQTQKVNIISYRTCNGRKEHYAIIIGNPGKNSEPLVRVHSSCYTGDLLDSLSCDCRSQLHQAIQIMTDSGNGIILYLMQDGRGIGLTNKLRAYDMQRKYNLDTVDANRILGFEDDERSFAVAAEMLKKLGIKKIQLLTNNGRKLSELKNNGIEVTRCLPLIMERNKYNDSYIETKFSRLGHRLRTF
Complex: PPV_B_4(4RL4) / Model_13(4RL4/B) = [4.1] Download420.623.93MFIGNRNRNKVERAISEIRRGLPIIIYDKSNYLLVAAAETLEKDLFNQYGLISGKIYVILPSSKVTCISQNVEHSSKRLLINNFDELFHLVNCSKEDHTKELQRSKAIDECAITLLKSSELLPYALVVDVNFKDEYEMRGWCEKSDVIALDVLFINNFQQNQDIYEVCKTPLFLKQTQKVNIISYRTCNGRKEHYAIIIGNPGKNSEPLVRVHSSCYTGDLLDSLSCDCRSQLHQAIQIMTDSGNGIILYLMQDGRGIGLTNKLRAYDMQRKYNLDTVDANRILGFEDDERSFAVAAEMLKKLGIKKIQLLTNNGRKLSELKNNGIEVTRCLPLIMERNKYNDSYIETKFSRLGHRLRTF
Consensus
[pKd Mean = 3.85]
-438
(s=17)
7
(s=3)
MFIGNRNRNKVERAISEIRRGLPIIIYDKSNYLLVAAAETLEKDLFNQYGLISGKIYVILPSSKVTCISQNVEHSSKRLLINNFDELFHLVNCSKEDHTKELQRSKAIDECAITLLKSSELLPYALVVDVNFKDEYEMRGWCEKSDVIALDVLFINNFQQNQDIYEVCKTPLFLKQTQKVNIISYRTCNGRKEHYAIIIGNPGKNSEPLVRVHSSCYTGDLLDSLSCDCRSQLHQAIQIMTDSGNGIILYLMQDGRGIGLTNKLRAYDMQRKYNLDTVDANRILGFEDDERSFAVAAEMLKKLGIKKIQLLTNNGRKLSELKNNGIEVTRCLPLIMERNKYNDSYIETKFSRLGHRLRTF