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PDBsum entry 3al1
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Structural protein
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PDB id
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3al1
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References listed in PDB file
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Key reference
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Title
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Centrosymmetric bilayers in the 0.75 a resolution structure of a designed alpha-Helical peptide, D,L-Alpha-1.
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Authors
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W.R.Patterson,
D.H.Anderson,
W.F.Degrado,
D.Cascio,
D.Eisenberg.
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Ref.
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Protein Sci, 1999,
8,
1410-1422.
[DOI no: ]
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PubMed id
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Abstract
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We report the 0.75 A crystal structure of a racemic mixture of the 12-residue
designed peptide "Alpha-1" (Acetyl-ELLKKLLEELKG), the L-enantiomer of which is
described in the accompanying paper. Equivalent solutions of the centrosymmetric
bilayers were determined by two direct phasing programs in space groups P1 and
P1bar. The unit cell contains two L-alpha-helices and two D-alpha-helices. The
columnar-sheet bilayer motif seen in L-Alpha-1 is maintained in the D,L-Alpha-1
structure except that each sheet of head-to-tail helices is composed of one
enantiomer and is related to its neighboring sheets by inversion symmetry.
Comparison to the L-Alpha-1 structure provides further insight into peptide
design. The high resolution and small asymmetric unit allowed building an
intricate model (R = 13.1%, Rfree = 14.5%) that incorporates much of the
discrete disorder of peptide and solvent. Ethanolamine and
2-methyl-2,4-pentanediol (MPD) molecules bind near helix termini. Rigid body
analysis identifies sites of restricted displacements and torsions. Side-chain
discrete disorder propagates into the backbone of one helix but not the other.
Although no side chain in Alpha-1 is rigid, the environments in the crystal
restrict some of them to no or only one active torsion.
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Secondary reference #1
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Title
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Packed protein bilayers in the 0.90 a resolution structure of a designed alpha helical bundle.
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Authors
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G.G.Privé,
D.H.Anderson,
L.Wesson,
D.Cascio,
D.Eisenberg.
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Ref.
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Protein Sci, 1999,
8,
1400-1409.
[DOI no: ]
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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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Secondary reference #2
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Title
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Crystal structure of alpha 1: implications for protein design.
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Authors
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C.P.Hill,
D.H.Anderson,
L.Wesson,
W.F.Degrado,
D.Eisenberg.
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Ref.
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Science, 1990,
249,
543-546.
[DOI no: ]
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PubMed id
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Secondary reference #3
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Title
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The design, Synthesis, And crystallization of an alpha-Helical peptide.
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Authors
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D.Eisenberg,
W.Wilcox,
S.M.Eshita,
P.M.Pryciak,
S.P.Ho,
W.F.Degrado.
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Ref.
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Proteins, 1986,
1,
16-22.
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PubMed id
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