Literature summary for 3.2.2.21 extracted from

Lenz, S.A.P.; Wetmore, S.D.
Evaluating the substrate selectivity of alkyladenine DNA glycosylase the synergistic interplay of active site flexibility and water reorganization (2016), Biochemistry, 55, 798-808 .

Crystallization (Commentary)

Crystallization (Comment)	Organism
molecular dynamics simulations show that neutral substrates form a common DNA-protein hydrogen bond, which results in a consistent active site conformation that maximizes pi-pi interactions between the aromatic residues and the nucleobase required for catalysis. The exocyclic amino groups of the natural purines clash with active site residues, which leads to catalytically incompetent DNA-enzyme complexes due to significant reorganization of active site water. Water resides between the A nucleobase and the active site aromatic amino acids required for catalysis, while a shift in the position of the general base (E125) repositions water away from G. The methyl substituents in cationic purine lesions (3-methyladenine and 7-methyladenine) exhibit repulsion with active site residues	Homo sapiens

Crystallization (Comment)

Organism

molecular dynamics simulations show that neutral substrates form a common DNA-protein hydrogen bond, which results in a consistent active site conformation that maximizes pi-pi interactions between the aromatic residues and the nucleobase required for catalysis. The exocyclic amino groups of the natural purines clash with active site residues, which leads to catalytically incompetent DNA-enzyme complexes due to significant reorganization of active site water. Water resides between the A nucleobase and the active site aromatic amino acids required for catalysis, while a shift in the position of the general base (E125) repositions water away from G. The methyl substituents in cationic purine lesions (3-methyladenine and 7-methyladenine) exhibit repulsion with active site residues

Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P29372	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining

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Release 2023.1 (January 2023)