Study : PA2780 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NACID_C_3(4JCX) / Model_4(4JCX/A) = [4.0] Download--MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPNMRTSEQLAMVLQVPMAYLYCPEDELAELILKVSSLTPEFKKELTRFIEQLLAAQGSTSRQPVRTRSEL
Complex: NACID_C_3(4JQD) / Model_15(4JQD/F) = [4.2] Download--MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPNMRTSEQLAMVLQVPMAYLYCPEDELAELILKVSSLTPEFKKELTRFIEQLLAAQGSTSRQPVRTRSEL
Complex: NACID_C_3(4JCY) / Model_5(4JCY/A) = [4.7] Download--MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPNMRTSEQLAMVLQVPMAYLYCPEDELAELILKVSSLTPEFKKELTRFIEQLLAAQGSTSRQPVRTRSEL
Complex: NACID_G_7(4JQD) / Model_17(4JQD/B) = [4.7] Download--MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPNMRTSEQLAMVLQVPMAYLYCPEDELAELILKVSSLTPEFKKELTRFIEQLLAAQGSTSRQPVRTRSEL
Complex: NACID_C_3(4JCX) / Model_19(4JCX/B) = [5.6] Download--MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPNMRTSEQLAMVLQVPMAYLYCPEDELAELILKVSSLTPEFKKELTRFIEQLLAAQGSTSRQPVRTRSEL
Consensus
[pKd Mean = 4.64]
-0
(s=0)
0
(s=0)
MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPNMRTSEQLAMVLQVPMAYLYCPEDELAELILKVSSLTPEFKKELTRFIEQLLAAQGSTSRQPVRTRSEL