2KRJ

High-Resolution Solid-State NMR Structure of a 17.6 kDa Protein

Summary for 2KRJ

• Entry DOI: 10.2210/pdb2krj/pdb
• Related: 2k9c
• Descriptor: Macrophage metalloelastase, COBALT (II) ION (2 entities in total)
• Functional Keywords: calcium, extracellular matrix, glycoprotein, hydrolase, metal-binding, metalloprotease, polymorphism, protease, secreted, zinc, zymogen
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 16817.53

Authors

Bertini, I.,Bhaumik, A.,De Pa pe, G.,Griffin, R.G.,Lelli, M.,Lewandowski, J.R.,Luchinat, C. (deposition date: 2009-12-18, release date: 2010-02-23, Last modification date: 2024-05-01)

Primary citation

Bertini, I.,Bhaumik, A.,De Paepe, G.,Griffin, R.G.,Lelli, M.,Lewandowski, J.R.,Luchinat, C.
High-resolution solid-state NMR structure of a 17.6 kDa protein.
J.Am.Chem.Soc., 132:1032-1040, 2010

PubMed Abstract: The use of pseudocontact shifts arising from paramagnetic metal ions in a microcrystalline protein sample is proposed as a strategy to obtain unambiguous signal assignments in solid-state NMR spectra enabling distance extraction for protein structure calculation. With this strategy, 777 unambiguous (281 sequential, 217 medium-range, and 279 long-range) distance restraints could be obtained from PDSD, DARR, CHHC, and the recently introduced PAR and PAIN-CP solid-state experiments for the cobalt(II)-substituted catalytic domain of matrix metalloproteinase 12 (159 amino acids, 17.6 kDa). The obtained structure is a high resolution one, with backbone rmsd of 1.0 +/- 0.2 A, and is in good agreement with the X-ray structure (rmsd to X-ray 1.3 A). The proposed strategy, which may be generalized for nonmetalloproteins with the use of paramagnetic tags, represents a significant step ahead in protein structure determination using solid-state NMR.

PubMed: 20041641
DOI: 10.1021/ja906426p

Experimental method

SOLID-STATE NMR