4F7V

Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1D (HP26)

Summary for 4F7V

• Entry DOI: 10.2210/pdb4f7v/pdb
• Related: 1EX8 3UD5 3UDE 3UDV
• Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine (3 entities in total)
• Functional Keywords: alpha beta, pyrophosphokinase, pyrophosphoryl transfer, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Escherichia coli
• Total number of polymer chains: 1
• Total formula weight: 18601.16

Authors

Shaw, G.,Shi, G.,Ji, X. (deposition date: 2012-05-16, release date: 2012-07-11, Last modification date: 2023-09-13)

• Primary citation: Shi, G.,Shaw, G.,Li, Y.,Wu, Y.,Yan, H.,Ji, X.; Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New lead exhibits a distinct binding mode.; Bioorg.Med.Chem., 20:4303-4309, 2012; PubMed: 22727779; DOI: 10.1016/j.bmc.2012.05.060

Experimental method

X-RAY DIFFRACTION (1.73 Å)