1NHX

PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR

Summary for 1NHX

Entry DOI	10.2210/pdb1nhx/pdb
Related	1KHB 1M51
Descriptor	PHOSPHOENOLPYRUVATE CARBOXYKINASE, CYTOSOLIC, MANGANESE (II) ION, SODIUM ION, ... (7 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	70363.31
Authors	Foley, L.H.,Wang, P.,Dunten, P.,Ramsey, G.,Gubler, M.-L.,Wertheimer, S.J. (deposition date: 2002-12-19, 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 Cited by 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 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation