› 2m30

Solution NMR

Solution NMR refinement of a metal ion bound protein using quantum mechanical/molecular mechanical and molecular dynamics methods

Released:
DOI: 10.2210/pdb2m30/pdb
PDB entry 2m30 coloured by chain, ensemble of 10 models, front view.
PDB entry 2m30 coloured by chain, ensemble of 10 models, side view.
PDB entry 2m30 coloured by chain, ensemble of 10 models, top view.
Source organism: Staphylococcus aureus
Primary publication:
Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods.
Chakravorty DK, Wang B, Lee CW, Guerra AJ, Giedroc DP, Merz KM
J Biomol NMR 56 125-37 (2013)
PMID: 23609042

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131433 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
HTH arsR-type domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 106 amino acids
Theoretical weight: 12.01 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: O85142 (Residues: 1-106; Coverage: 100%)
Gene names: A6760_11845, BN1321_350009, CV021_10345, CzrA, EP54_06885, EQ90_13065, FAF17_13815, G6W63_05680, G6Y24_05035, GO793_16165, GO814_05535, GO941_16585, GO942_06145, GQX37_08730, GZ156_05085, GZ163_08250, H2639_10805, HMPREF3211_00009, M1K003_2263, NCTC10702_03381, NCTC13131_01480, NCTC5664_01801, NCTC6133_02909, NCTC7878_02904, NCTC7972_02574, QU38_06130, SAMEA2078260_01939, SAMEA2078588_01910, SAMEA2080344_01776, SAMEA2081063_01791, SAMEA4008575_00680, SAMEA70146418_02191, SAMEA70153168_02326, SAMEA70245418_02324, czrA, czrA_1, czrA_2, rzcA
Sequence domains: Bacterial regulatory protein, arsR family
Structure domains: Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

Ligands and Environments

1 bound ligand:
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 25%
Refinement method: molecular dynamics and quantum mechanical molecular mechanical molecular dynamics
Expression system: Escherichia coli

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Citations

2 review citations

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Jo et al. (2017)
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8 mentions without citation

Bacterial Strategies to Maintain Zinc Metallostasis at the Host-Pathogen Interface.
Capdevila et al. (2016)
7 more