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PDBsum entry 2k39
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Signaling protein
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PDB id
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2k39
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References listed in PDB file
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Key reference
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Title
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Recognition dynamics up to microseconds revealed from an rdc-Derived ubiquitin ensemble in solution.
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Authors
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O.F.Lange,
N.A.Lakomek,
C.Farès,
G.F.Schröder,
K.F.Walter,
S.Becker,
J.Meiler,
H.Grubmüller,
C.Griesinger,
B.L.De groot.
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Ref.
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Science, 2008,
320,
1471-1475.
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PubMed id
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Abstract
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Protein dynamics are essential for protein function, and yet it has been
challenging to access the underlying atomic motions in solution on
nanosecond-to-microsecond time scales. We present a structural ensemble of
ubiquitin, refined against residual dipolar couplings (RDCs), comprising
solution dynamics up to microseconds. The ensemble covers the complete
structural heterogeneity observed in 46 ubiquitin crystal structures, most of
which are complexes with other proteins. Conformational selection, rather than
induced-fit motion, thus suffices to explain the molecular recognition dynamics
of ubiquitin. Marked correlations are seen between the flexibility of the
ensemble and contacts formed in ubiquitin complexes. A large part of the
solution dynamics is concentrated in one concerted mode, which accounts for most
of ubiquitin's molecular recognition heterogeneity and ensures a low entropic
complex formation cost.
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