2rfh
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Revision as of 06:42, 24 April 2008
Crystal Structure Analysis of CPA-2-benzyl-3-nitropropanoic acid complex
Overview
2-Substituted 3-nitropropanoic acids were designed and synthesized as inhibitors against carboxypeptidase A (CPA). (R)-2-Benzyl- 3-nitropropanoic acid showed a potent inhibition against CPA (K(i)=0.15 microM). X-ray crystallography discloses that the nitro group well mimics the transition state occurred in the hydrolysis catalyzed by CPA, that is, an O,O'-bidentate coordination to the zinc ion and the two respective hydrogen bonds with Glu-270 and Arg-127. Because the nitro group is a planar species, we proposed (R)-2-benzyl-3-nitropropanoic acid as a pseudo-transition-state analog inhibitor against CPA.
About this Structure
2RFH is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.
Reference
Nitro as a novel zinc-binding group in the inhibition of carboxypeptidase A., Wang SH, Wang SF, Xuan W, Zeng ZH, Jin JY, Ma J, Tian GR, Bioorg Med Chem. 2008 Apr 1;16(7):3596-601. Epub 2008 Feb 8. PMID:18289863 Page seeded by OCA on Thu Apr 24 09:42:27 2008
