BMRB Entry 16944

Title:
Chemical shift assignment of CpR82G from Clostridium perfringens. North East Structural Genomics Consortium Target CpR82g.
Deposition date:
2010-05-21
Original release date:
2010-06-22
Authors:
Mobley, Charles; Lee, Hsiau-Wei; Lee, Dan; Ciccosanti, Colleen; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everrett, John; Montelione, Gaetano; Prestegard, James
Citation:

Citation: Mobley, Charles; Lee, Hsiau-Wei; Montelione, Gaetano; Prestegard, James. "Solution Structure of CpR82G"  .

Assembly members:

Assembly members:
CpR82G, polymer, 68 residues, 12660.391 Da.

Natural source:

Natural source:   Common Name: Clostridium perfringens   Taxonomy ID: 1502   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Clostridium perfringens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET 21-23C

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts244
15N chemical shifts61
1H chemical shifts342
residual dipolar couplings95

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CpR82G1

Entities:

Entity 1, CpR82G 68 residues - 12660.391 Da.

LEHHHHHH are at the C-terminus as part of a His -Tag. It is not included in the coordinate file.

1   METLYSTHRGLYILEVALASNVALSERSER
2   SERLEUASNVALARGSERSERALASERTHR
3   SERSERLYSVALILEGLYSERLEUSERGLY
4   ASNTHRLYSVALTHRILEVALGLYGLUGLU
5   GLYALAPHETYRLYSILEGLUTYRLYSGLY
6   SERHISGLYTYRVALALALYSGLUTYRILE
7   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: CpR82G, [U-100% 13C; U-100% 15N], 1.01 mM; sodium azide 0.02%; DTT 100 mM; Calcium Chloride 5 mM; sodium chloride 100 mM; MES 20 mM; H2O 95%; D2O 5%

sample_2: CpR82G, U-5% 13C; U-100% 15N, 0.98 mM; sodium azide 0.02%; DTT 100 mM; Calcium Chloride 5 mM; sodium chloride 100 mM; MES 20 mM; H2O 95%; D2O 5%

sample_1_Peg: CpR82G, [U-100% 13C; U-100% 15N], 0.67 mM; sodium azide 0.016%; DTT 81.73 mM; Calcium Chloride 4.09 mM; sodium chloride 81.73 mM; MES 16.35 mM; C12E5 PEG 4%; Hexanol 1.25%; H2O 82.88%; D2O 17.12%

sample_1_Gel: CpR82G 0.92 mM; sodium azide 0.018%; DTT 91.67 mM; Calcium Chloride 4.58 mM; sodium chloride 91.67 mM; MES 18.32 mM; Positively Charged Compressed Polyacrylamide Gel 7%; H2O 91.3%; D2O 8.7%

sample_conditions_1: ionic strength: 205 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-13C HSQC CT 28ms delaysample_2isotropicsample_conditions_1
2D 1H-13C HSQC CT 42ms delaysample_2isotropicsample_conditions_1
2D 1H-13C HSQC CT 56ms delaysample_2isotropicsample_conditions_1
NH-J-modulationsample_1_Pegisotropicsample_conditions_1
NH-J-modulationsample_1_Gelisotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
hbcbcgcdhdAsample_1isotropicsample_conditions_1
hbcbcgcdceheAsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

CYANA v2.1.5, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.18, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMRViewJ v8.0.b17, Johnson, One Moon Scientific - chemical shift assignment

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

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

PSVS, Bhattacharya and Montelione - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks