Looks like a pretty good PEG fragment to me.
Dale Tronrud
On 2/3/2025 8:42 AM, Chris Fage wrote:
Dear All,
Our ~2.3 Å crystal structure contains a tube of electron density for an
unknown ligand, into which we've built a network of water molecules (see
attached images with 2Fo-Fc map contoured at 1.5 sigma). We'd be
grateful for any help in identifying that ligand. The
purification buffer contains HEPES and NaCl, the crystallization
solution consists of PEG 4000 and MES, and glycerol was used as the
cryoprotectant. None of those fit the density. Aside from the Ser side
chain and backbone O atom, which are within H-bonding distance of the
individual water molecule, most of the nearby protein atoms are C or H.
Could the density represent an ordered fragment of a PEG chain? Any ideas?!
Thanks, and best wishes,
Chris
waters_1.5sigma_a.pngwaters_1.5sigma_b.png
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