Table 1.

Essential residues in DJ-1 and their proposed contribution to the reaction mechanism

Essential residues in DJ-1Proposed contribution to the cPGA hydrolysis
E15 Formation of the cPGA-binding pocket 
E18 Formation of a hydrogen bond with the hydroxy group of cPGA 
R28 (protomer) Determination of the side chain arrangement of E18 
G74 Stabilization of tetrahedral intermediate by oxyanion hole formation 
G75 Stabilization of tetrahedral intermediate by oxyanion hole formation 
C106 Nucleophilic cysteine that attacks the cPGA carbonyl group to form the tetrahedral intermediate 
A107 (backbone nitrogen) Formation of a hydrogen bond with oxygen atoms on the carbonyl group of cPGA 
P158 Formation of the cPGA-binding pocket 
Essential residues in DJ-1Proposed contribution to the cPGA hydrolysis
E15 Formation of the cPGA-binding pocket 
E18 Formation of a hydrogen bond with the hydroxy group of cPGA 
R28 (protomer) Determination of the side chain arrangement of E18 
G74 Stabilization of tetrahedral intermediate by oxyanion hole formation 
G75 Stabilization of tetrahedral intermediate by oxyanion hole formation 
C106 Nucleophilic cysteine that attacks the cPGA carbonyl group to form the tetrahedral intermediate 
A107 (backbone nitrogen) Formation of a hydrogen bond with oxygen atoms on the carbonyl group of cPGA 
P158 Formation of the cPGA-binding pocket 

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