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3UDE

Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B

Summary for 3UDE
Entry DOI10.2210/pdb3ude/pdb
Related3UD5 3UDV
Descriptor2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION, ... (4 entities in total)
Functional Keywordsalpha beta, kinase, atp binding, pyrophosphoryl transfer, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceEscherichia coli
Total number of polymer chains1
Total formula weight18640.30
Authors
Shaw, G.,Shi, G.,Ji, X. (deposition date: 2011-10-28, release date: 2012-01-04, Last modification date: 2023-09-13)
Primary citationShi, G.,Shaw, G.,Liang, Y.H.,Subburaman, P.,Li, Y.,Wu, Y.,Yan, H.,Ji, X.
Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20:47-57, 2012
Cited by
PubMed: 22169600
DOI: 10.1016/j.bmc.2011.11.032
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.881 Å)
Structure validation

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