Study : PA3341 (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(4AIJ) / Model_24(4AIJ/B) = [4.2] Download--MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR
Complex: NACID_D_4(3Q5F) / Model_22(3Q5F/B) = [5.2] Download--MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR
Complex: NACID_C_3(4AIJ) / Model_6(4AIJ/A) = [5.4] Download--MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR
Complex: NACID_C_3(3Q5F) / Model_22(3Q5F/B) = [6.0] Download--MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR
Complex: NACID_D_4(3Q5F) / Model_3(3Q5F/A) = [6.0] Download--MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR
Consensus
[pKd Mean = 5.36]
-0
(s=0)
0
(s=0)
MAQTDKHYFGTLLAQTSRAWRAELDRRLSHLGLSQARWLVLLHLARHRDSPTQRELAQSVGVEGPTLARLLDGLESQGLVRRLAVAEDRRAKHIVLTPKADVLIADIEAIAASVRNDVLTGIDESEQALCQQVLLRILANLENR