2WF6

Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride

Summary for 2WF6

• Entry DOI: 10.2210/pdb2wf6/pdb
• Related: 1LVH 1O03 1O08 1Z4N 1Z4O 1ZOL 2WF5 2WF7 2WF8 2WF9 2WFA
• Descriptor: BETA-PHOSPHOGLUCOMUTASE, TETRAFLUOROALUMINATE ION, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: isomerase, phosphotransferase, transition state analogue, haloacid dehalogenase superfamily
• Biological source: LACTOCOCCUS LACTIS
• Cellular location: Cytoplasm : P71447
• Total number of polymer chains: 1
• Total formula weight: 24651.31

Authors

Bowler, M.W.,Baxter, N.J.,Webster, C.E.,Pollard, S.,Alizadeh, T.,Hounslow, A.M.,Cliff, M.J.,Bermel, W.,Williams, N.H.,Hollfelder, F.,Blackburn, G.M.,Waltho, J.P. (deposition date: 2009-04-03, release date: 2010-05-26, Last modification date: 2023-12-13)

Primary citation

Baxter, N.J.,Bowler, M.W.,Alizadeh, T.,Cliff, M.J.,Hounslow, A.M.,Wu, B.,Berkowitz, D.B.,Williams, N.H.,Blackburn, G.M.,Waltho, J.P.
Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107:4555-4560, 2010

PubMed Abstract: Prior evidence supporting the direct observation of phosphorane intermediates in enzymatic phosphoryl transfer reactions was based on the interpretation of electron density corresponding to trigonal species bridging the donor and acceptor atoms. Close examination of the crystalline state of beta-phosphoglucomutase, the archetypal phosphorane intermediate-containing enzyme, reveals that the trigonal species is not PO-3 , but is MgF-3 (trifluoromagnesate). Although MgF-3 complexes are transition state analogues rather than phosphoryl group transfer reaction intermediates, the presence of fluorine nuclei in near-transition state conformations offers new opportunities to explore the nature of the interactions, in particular the independent measures of local electrostatic and hydrogen-bonding distributions using 19F NMR. Measurements on three beta-PGM-MgF-3 -sugar phosphate complexes show a remarkable relationship between NMR chemical shifts, primary isotope shifts, NOEs, cross hydrogen bond F...H-N scalar couplings, and the atomic positions determined from the high-resolution crystal structure of the beta-PGM-MgF--3 -G6P complex. The measurements provide independent validation of the structural and isoelectronic MgF--3 model of near-transition state conformations.

PubMed: 20164409
DOI: 10.1073/pnas.0910333106

Experimental method

X-RAY DIFFRACTION (1.4 Å)