Study : PA4730 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: GOL_B_16(3MUE) / Model_23(3MUE/B) = [3.1] Download283.2135.56MNTVKTVRELRAAVARARSEGKRIGFVPTMGNLHAGHAALVKKAGERADFVVVSIFVNPLQFGPSEDLDTYPRTLAADQERLLEAGCHLLFTPTVEEMYPDGMDGQTRIHVPGVSEGLCGASRPGHFEGVATVVSKLLNMVQPDLALFGEKDFQQLAVIRKLVRDLNLPVQIFGEPTVRAADGLALSSRNGYLDEQQRAAAPAIYRTLRQLGERIRAGAEDFPALLADARQALEQAGLRPDYLEIREPISLRPGVPGDRQLVILAAAYLGSTRLIDNLSVHLD
Complex: FG6_A_4(3IVX) / Model_51(3IVX/A) = [3.1] Download1381.0916.43MNTVKTVRELRAAVARARSEGKRIGFVPTMGNLHAGHAALVKKAGERADFVVVSIFVNPLQFGPSEDLDTYPRTLAADQERLLEAGCHLLFTPTVEEMYPDGMDGQTRIHVPGVSEGLCGASRPGHFEGVATVVSKLLNMVQPDLALFGEKDFQQLAVIRKLVRDLNLPVQIFGEPTVRAADGLALSSRNGYLDEQQRAAAPAIYRTLRQLGERIRAGAEDFPALLADARQALEQAGLRPDYLEIREPISLRPGVPGDRQLVILAAAYLGSTRLIDNLSVHLD
Complex: BZ2_A_3(3IMG) / Model_69(3IMG/A) = [3.1] Download505.1439.65MNTVKTVRELRAAVARARSEGKRIGFVPTMGNLHAGHAALVKKAGERADFVVVSIFVNPLQFGPSEDLDTYPRTLAADQERLLEAGCHLLFTPTVEEMYPDGMDGQTRIHVPGVSEGLCGASRPGHFEGVATVVSKLLNMVQPDLALFGEKDFQQLAVIRKLVRDLNLPVQIFGEPTVRAADGLALSSRNGYLDEQQRAAAPAIYRTLRQLGERIRAGAEDFPALLADARQALEQAGLRPDYLEIREPISLRPGVPGDRQLVILAAAYLGSTRLIDNLSVHLD
Complex: EOH_A_9(3IMC) / Model_19(3IMC/A) = [3.2] Download148.8423.00MNTVKTVRELRAAVARARSEGKRIGFVPTMGNLHAGHAALVKKAGERADFVVVSIFVNPLQFGPSEDLDTYPRTLAADQERLLEAGCHLLFTPTVEEMYPDGMDGQTRIHVPGVSEGLCGASRPGHFEGVATVVSKLLNMVQPDLALFGEKDFQQLAVIRKLVRDLNLPVQIFGEPTVRAADGLALSSRNGYLDEQQRAAAPAIYRTLRQLGERIRAGAEDFPALLADARQALEQAGLRPDYLEIREPISLRPGVPGDRQLVILAAAYLGSTRLIDNLSVHLD
Complex: EDO_A_4(1IHO) / Model_122(1IHO/A) = [3.2] Download321.6449.06MNTVKTVRELRAAVARARSEGKRIGFVPTMGNLHAGHAALVKKAGERADFVVVSIFVNPLQFGPSEDLDTYPRTLAADQERLLEAGCHLLFTPTVEEMYPDGMDGQTRIHVPGVSEGLCGASRPGHFEGVATVVSKLLNMVQPDLALFGEKDFQQLAVIRKLVRDLNLPVQIFGEPTVRAADGLALSSRNGYLDEQQRAAAPAIYRTLRQLGERIRAGAEDFPALLADARQALEQAGLRPDYLEIREPISLRPGVPGDRQLVILAAAYLGSTRLIDNLSVHLD
Consensus
[pKd Mean = 3.14]
-527
(s=441)
32
(s=11)
MNTVKTVRELRAAVARARSEGKRIGFVPTMGNLHAGHAALVKKAGERADFVVVSIFVNPLQFGPSEDLDTYPRTLAADQERLLEAGCHLLFTPTVEEMYPDGMDGQTRIHVPGVSEGLCGASRPGHFEGVATVVSKLLNMVQPDLALFGEKDFQQLAVIRKLVRDLNLPVQIFGEPTVRAADGLALSSRNGYLDEQQRAAAPAIYRTLRQLGERIRAGAEDFPALLADARQALEQAGLRPDYLEIREPISLRPGVPGDRQLVILAAAYLGSTRLIDNLSVHLD