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Figure 2.
Figure 2. Overview of HSA structure and omit maps. (a)
Structure of HSA-diazepam. The protein is colour-coded by
subdomain using a scheme that is maintained throughout. The
diazepam is depicted in space-filling representation
colour-coded by atom-type: carbon, pink; oxygen, red; nitrogen,
blue; chlorine, gr. The rotated view on the right shows drug
site 2 in the same orientation as drug site 1 in (c). (b) F[o]
-F[c] simulated annealing omit map calculated in CNS50 with the
diazepam molecule omitted from the phasing model and contoured
at 2.75s. (c) Structure of HSA-myristate-phenylbutazone. Fatty
acid molecules and phenylbutazone are depicted in space-filling
representation with carbon atoms coloured grey and mid-blue,
respectively. (d) F[o] -F[c] simulated annealing omit map
calculated with the phenylbutazone molecule omitted from the
phasing model and contoured at 2.75s. All Figures were prepared
using PyMol.55
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