BMRB Entry 27028

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27028

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Title:
side-chain methyl order parameters, stereospecific resonance assignments, and relaxation rates for Zn(II) CzrA
Deposition date:
2017-02-07
Original release date:
2017-04-05
Authors:
Capdevila, Daiana; Braymer, Joseph; Edmonds, Katherine; Wu, Hongwei; Giedroc, David
Citation:

Citation: Capdevila, Daiana; Braymer, Joseph; Edmonds, Katherine; Wu, Hongwei; Giedroc, David. "Entropy redistribution controls allostery in a metalloregulatory protein"  Proc. Natl. Acad. Sci. U.S.A. 114, 4424-4429 (2017).
PubMed: 28348247

Assembly members:

Assembly members:
CzrA_chain, polymer, 106 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CzrA_chain: MAEQYSEINTDTLERVTEIF KALGDYNRIRIMELLSVSEA SVGHISHQLNLSQSNVSHQL KLLKSVHLVKAKRQGQSMIY SLDDIHVATMLKQAIHHANH PKESGL

Data sets:
Data typeCount
13C chemical shifts58
1H chemical shifts174
T2 relaxation values58
order parameters232

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CzrA11
2CzrA21
3Zn12
4Zn22

Entities:

Entity 1, CzrA1 106 residues - Formula weight is not available

1   METALAGLUGLNTYRSERGLUILEASNTHR
2   ASPTHRLEUGLUARGVALTHRGLUILEPHE
3   LYSALALEUGLYASPTYRASNARGILEARG
4   ILEMETGLULEULEUSERVALSERGLUALA
5   SERVALGLYHISILESERHISGLNLEUASN
6   LEUSERGLNSERASNVALSERHISGLNLEU
7   LYSLEULEULYSSERVALHISLEUVALLYS
8   ALALYSARGGLNGLYGLNSERMETILETYR
9   SERLEUASPASPILEHISVALALATHRMET
10   LEULYSGLNALAILEHISHISALAASNHIS
11   PROLYSGLUSERGLYLEU

Entity 2, Zn1 - Zn - 65.409 Da.

1   ZN

Samples:

15N-13C: CzrA_chain, [U-13C; U-15N], 0.25 mM; MES 10 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM; zinc chloride 0.25 mM

ILVAM: CzrA_chain, [U-12C; U-15N; U-2H; Ala, Met, Leu, Val, Ile-d methyl 100%-1H; Ala, Met, Leu, Val, Ile-d methyl 100%-13C], 0.25 mM; MES, [U-2H], 10 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM; zinc chloride 0.25 mM

10percent13C: CzrA_chain, [U-10% 13C; U-99% 15N], 0.25 mM; MES 10 mM; sodium chloride 50 mM; sodium azide 0.02 % w/v; DSS 0.4 mM; zinc chloride 0.25 mM

25C: pH: 6; pressure: 1 atm; temperature: 298 K

30C: pH: 6; pressure: 1 atm; temperature: 303 K

35C: pH: 6; pressure: 1 atm; temperature: 308 K

40C: pH: 6; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC10percent13Cisotropic40C
3D 1H-13C NOESY aliphaticILVAMisotropic40C
2D 1H-13C CPMG HMQC relaxation dispersionILVAMisotropic25C
2D 1H-13C order parameterILVAMisotropic25C
2D 1H-13C order parameterILVAMisotropic40C
2D 1H-13C HSQCILVAMisotropic25C
2D 1H-13C HSQCILVAMisotropic30C
2D 1H-13C HSQCILVAMisotropic35C
2D 1H-13C HSQCILVAMisotropic40C

Software:

VNMRJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz