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Figure 3.
Fig. 3. (a) The NMR structure of MMP-12 free from inhibitor
(blue; 2POJ) superposed with the crystal structures of MMP-12
with the inhibitor washed away (red; 2OXU),^40 or bound to
hydroxamate inhibitor (either E219A-substituted 1JK3^31 in green
or 1JIZ^32 in gold), as shown in stereo. The inhibitor
CGS-27023A from 1JIZ is drawn with ball and sticks. Lines point
out closer approaches of hB with sI, sIII, or hA in the solution
structure without an inhibitor. For clarity, the S-shaped
III–IV loop and the N-terminal six or seven residues are
clipped from view. Zinc and calcium ions in the solution
structure are in gray and orange, respectively. (b) Dotted blue
lines indicate 25 NOEs that distinguish the ligand-free solution
structure from X-ray structures using crystallization with
inhibitors. Side-chain and backbone groups involved in contacts
unique to this NMR structure are plotted with sticks.
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