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Structure paper

TitleBisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Journal, issue, pagesBioorg. Med. Chem., Vol. 29, Page 115847-115847, Year 2021
Publish dateOct 9, 2020 (structure data deposition date)
AuthorsShi, G. / Shaw, G.X. / Zhu, F. / Tarasov, S.G. / Ji, X.
External linksBioorg. Med. Chem. / PubMed:33199204
MethodsX-ray diffraction
Resolution1.488 - 1.6 Å
Structure data

PDB-7kdo:
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7kdr:
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75
Method: X-RAY DIFFRACTION / Resolution: 1.488 Å

Chemicals

ChemComp-H73:
5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine

ChemComp-HOH:
WATER

ChemComp-J1L:
5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • escherichia coli (strain k12) (bacteria)
KeywordsTRANSFERASE/INHIBITOR / alpha beta / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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