Three-dimensional model of the ATP-binding domain of pyridoxal kinase

With a combination of multiple sequence alignment, secondary structure prediction and fold recognition techniques, a molecular model of the ATP-binding domain of pyridoxal kinase was constructed. The overall fold of the model consists of a central P-sheet of five parallel strands sandwiched between six helices. It shows high resemblance with the typical Rossmann fold in nucleotide binding. The quality of this model was assessed with the program PROCHECK using conformation criteria. PROCHECK locates over 90% of the residues of the current model in the "most favored" and "additional allowed" regions in Ramachandran plot.