› 2kzn

Solution NMR

Solution NMR Structure of Peptide methionine sulfoxide reductase msrB from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR10

Released:
DOI: 10.2210/pdb2kzn/pdb
PDB entry 2kzn coloured by chain, ensemble of 20 models, front view.
PDB entry 2kzn coloured by chain, ensemble of 20 models, side view.
PDB entry 2kzn coloured by chain, ensemble of 20 models, top view.
Source organism: Bacillus subtilis
Primary publication:
Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples.
Lange OF, Rossi P, Sgourakis NG, Song Y, Lee HW, Aramini JM, Ertekin A, Xiao R, Acton TB, Montelione GT, Baker D
Proc Natl Acad Sci U S A 109 10873-8 (2012)
PMID: 22733734

Function and Biology Details

Reaction catalysed: 
Peptide-L-methionine + thioredoxin disulfide + H(2)O = peptide-L-methionine (R)-S-oxide + thioredoxin
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156951 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptide methionine sulfoxide reductase MsrB Chain: A
Molecule details ›
Chain: A
Length: 151 amino acids
Theoretical weight: 17.7 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54155 (Residues: 1-143; Coverage: 100%)
Gene names: BSU21680, msrB, yppQ
Sequence domains: SelR domain
Structure domains: Peptide methionine sulfoxide reductase.

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: molecular dynamics
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

Macromolecular modeling and design in Rosetta: recent methods and frameworks.
Leman et al. (2020)
14 more

5 mentions without citation

A community resource of experimental data for NMR / X-ray crystal structure pairs.
Everett et al. (2016)
4 more