2rfh

From Proteopedia

Crystal Structure Analysis of CPA-2-benzyl-3-nitropropanoic acid complex

Structural highlights

2rfh is a 1 chain structure with sequence from Bos taurus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 1.7Å
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CBPA1_BOVIN Carboxypeptidase that catalyzes the release of a C-terminal amino acid, but has little or no action with -Asp, -Glu, -Arg, -Lys or -Pro (By similarity).

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

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.

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^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Wang SH, Wang SF, Xuan W, Zeng ZH, Jin JY, Ma J, Tian GR. Nitro as a novel zinc-binding group in the inhibition of carboxypeptidase A. Bioorg Med Chem. 2008 Apr 1;16(7):3596-601. Epub 2008 Feb 8. PMID:18289863 doi:10.1016/j.bmc.2008.02.010