1M51

PEPCK complex with a GTP-competitive inhibitor

Summary for 1M51

• Entry DOI: 10.2210/pdb1m51/pdb
• Related: 1KHB
• Descriptor: phosphoenolpyruvate carboxykinase, cytosolic, MANGANESE (II) ION, ACETATE ION, ... (6 entities in total)
• Functional Keywords: gluconeogenesis, xanthine, inhibitor, lyase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P35558
• Total number of polymer chains: 1
• Total formula weight: 70163.28

Authors

Foley, L.H.,Wang, P.,Dunten, P.,Wertheimer, S.J. (deposition date: 2002-07-06, release date: 2003-09-30, Last modification date: 2024-02-14)

Primary citation

Foley, L.H.,Wang, P.,Dunten, P.,Ramsey, G.,Gubler, M.-L.,Wertheimer, S.J.
X-ray Structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13:3871-3874, 2003

PubMed Abstract: The analysis of the X-ray structures of two xanthine inhibitors bound to PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent with information gained from the X-ray structures of compounds 1 and 2 bound to PEPCK. Representative N-3 modifications of compound 2 that led to the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal N-3 groups are presented.

PubMed: 14552798
DOI: 10.1016/S0960-894X(03)00723-6

Experimental method

X-RAY DIFFRACTION (2.25 Å)