Study : bsu22720 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SAH_B_2(1AF7) / Model_2(1AF7/A) = [7.3] Download590.6413.82MDTYSVFTTKWKQLTGVDLTLYKEAQMKRRLTSLYEKKGFQSFKDFAAALEKDQALLNETLDRMTINVSEFYRNYKRWEVLETAILPLIKTSRPLKIWSAACSTGEEPYTLAMLLDQQKGLPGYQILATDIDEKALEKAKKGVYQERSLQEVPLSVKDRYFTQNANRSYEVKTEIKKNITFKKHNLLADRYEQDFDLIVCRNVFIYFTESAKEELYLKMAHSLKKNGVLFVGSTEQIFNPEKFGLVPADTFFYQKR
Complex: SAH_A_4(1BC5) / Model_1(1BC5/A) = [7.5] Download643.6216.37MDTYSVFTTKWKQLTGVDLTLYKEAQMKRRLTSLYEKKGFQSFKDFAAALEKDQALLNETLDRMTINVSEFYRNYKRWEVLETAILPLIKTSRPLKIWSAACSTGEEPYTLAMLLDQQKGLPGYQILATDIDEKALEKAKKGVYQERSLQEVPLSVKDRYFTQNANRSYEVKTEIKKNITFKKHNLLADRYEQDFDLIVCRNVFIYFTESAKEELYLKMAHSLKKNGVLFVGSTEQIFNPEKFGLVPADTFFYQKR
Consensus
[pKd Mean = 7.40]
-617
(s=26)
15
(s=1)
MDTYSVFTTKWKQLTGVDLTLYKEAQMKRRLTSLYEKKGFQSFKDFAAALEKDQALLNETLDRMTINVSEFYRNYKRWEVLETAILPLIKTSRPLKIWSAACSTGEEPYTLAMLLDQQKGLPGYQILATDIDEKALEKAKKGVYQERSLQEVPLSVKDRYFTQNANRSYEVKTEIKKNITFKKHNLLADRYEQDFDLIVCRNVFIYFTESAKEELYLKMAHSLKKNGVLFVGSTEQIFNPEKFGLVPADTFFYQKR