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The structure of the adenylation domain of the NAD-dependent ligase from Bacillus stearothermophilus has been solved by X-ray crystallography using the technique of multiple isomorphous replacement. Coordinates of the structure have been deposited with the Protein Data Bank under accession code 1B04.

To avoid heterogeneities in the enzyme sample, the active site lysine-114 was mutated to alanine to prevent partial adenylation of the protein. The core of the enzyme (in green) shows striking structural similarities to the central domains of the mRNA Capping enzyme, and the ATP-dependent ligase, despite there being no detectable sequence similarity between the proteins.