Study : Rv1715 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NAD_C_3(1LSJ) / Model_12(1LSJ/A) = [7.0] Download1832.0024.71MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT
Complex: NAD_D_4(1LSJ) / Model_36(1LSJ/B) = [7.7] Download1991.0825.66MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT
Complex: NAD_F_6(3HDH) / Model_22(3HDH/B) = [8.6] Download1917.1625.62MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT
Complex: NAD_A_3(3HAD) / Model_13(3HAD/A) = [8.7] Download1921.4626.72MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT
Complex: NAD_D_8(4KUG) / Model_26(4KUG/D) = [8.7] Download2138.8525.00MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT
Consensus
[pKd Mean = 8.14]
-1960
(s=102)
25
(s=0)
MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT