1fnd
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(New page: 200px<br /><applet load="1fnd" size="450" color="white" frame="true" align="right" spinBox="true" caption="1fnd, resolution 1.7Å" /> '''REFINED CRYSTAL STRUC...)
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Revision as of 12:56, 20 November 2007
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REFINED CRYSTAL STRUCTURE OF SPINACH FERREDOXIN REDUCTASE AT 1.7 ANGSTROMS RESOLUTION: OXIDIZED, REDUCED, AND 2'-PHOSPHO-5'-AMP BOUND STATES
Overview
The crystal structure of spinach ferredoxin-NADP(+)-oxidoreductase (FNR), determined by multiple isomorphous replacement at 2.6 A resolution, has, been refined at 1.7 A resolution to an R-factor of 17.9%. The structure of, FNR bound to the competitive inhibitor 2'-phospho-5'-AMP (P-AMP) has also, been refined at 1.7 A to an R-factor of 17.4% and, dithionite-reduced/P-AMP-bound FNR has been refined at 2.0 A to an, R-factor of 14.9%. The P-AMP-bound structure was used to construct a model, for the binding of NADP+. Over 200 solvation sites were included in each, structure, and many of the best defined solvation sites stabilize buried, turns. A bulk solvent correction obviated the need for a low-resolution, data cutoff. An acidic side-chain likely to be responsible for the low pH, requirement for crystallization has been identified. Three large networks, of the hydrophobic side-chains help define the FNR structure. One of these, contains a large cavity far from the active site, which coincides with the, lone site of sequence heterogeneity in FNR, and may provide a site for, membrane attachment. The reduced structure shows that Ser96 moves toward, atom N-5 of FAD and a water molecule moves toward atom N-1 of FAD, while, the flavin moiety remains planar. Possible sources of a proton that must, be picked up upon reduction are discussed.
About this Structure
1FND is a Single protein structure of sequence from Spinacia oleracea with SO4, FAD and A2P as ligands. This structure superseeds the now removed PDB entry 2FNR. Active as Ferredoxin--NADP(+) reductase, with EC number 1.18.1.2 Full crystallographic information is available from OCA.
Reference
Refined crystal structure of spinach ferredoxin reductase at 1.7 A resolution: oxidized, reduced and 2'-phospho-5'-AMP bound states., Bruns CM, Karplus PA, J Mol Biol. 1995 Mar 17;247(1):125-45. PMID:7897656
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