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PDBsum entry 1fnc
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Oxidoreductase (NADP+(a),ferredoxin(a))
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PDB id
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1fnc
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References listed in PDB file
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Key reference
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Title
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Refined crystal structure of spinach ferredoxin reductase at 1.7 a resolution: oxidized, Reduced and 2'-Phospho-5'-Amp bound states.
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Authors
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C.M.Bruns,
P.A.Karplus.
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Ref.
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J Mol Biol, 1995,
247,
125-145.
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PubMed id
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Note In the PDB file this reference is
annotated as "TO BE PUBLISHED".
The citation details given above were identified by an automated
search of PubMed on title and author
names, giving a
percentage match of
95%.
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Abstract
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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.
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Secondary reference #1
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Title
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Atomic structure of ferredoxin-Nadp+ reductase: prototype for a structurally novel flavoenzyme family.
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Authors
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P.A.Karplus,
M.J.Daniels,
J.R.Herriott.
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Ref.
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Science, 1991,
251,
60-66.
[DOI no: ]
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PubMed id
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