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Biological Magnetic Resonance Data Bank


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BMRB Entry 19162

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19162
MolProbity Validation Chart

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Title: Structure of the p7 channel of Hepatitis C virus, genotype 5a   PubMed: 23739335

Deposition date: 2013-04-12 Original release date: 2013-06-17

Authors: OuYang, Bo; Chou, James

Citation: OuYang, Bo; Xie, Shiqi; Berardi, Marcelo; Zhao, Xinhao; Dev, Jyoti; Yu, Wenjing; Sun, Bing; Chou, James. "Unusual architecture of the p7 channel from hepatitis C virus."  Nature 498, 521-525 (2013).

Assembly members:
HCV_p7_hexamer, polymer, 63 residues, 6762.151 Da.

Natural source:   Common Name: Hepatitis C virus   Taxonomy ID: 11103   Superkingdom: Viruses   Kingdom: not available   Genus/species: Hepacivirus not available

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

Entity Sequences (FASTA):
HCV_p7_hexamer: GAKNVIVLNAASAAGNHGFF WGLLVVTLAWHVKGRLVPGA TYLSLGVWPLLLVRLLRPHR ALA

Data sets:
Data typeCount
13C chemical shifts224
15N chemical shifts58
1H chemical shifts217

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HCV_p7_hexamer_11
2HCV_p7_hexamer_21
3HCV_p7_hexamer_31
4HCV_p7_hexamer_41
5HCV_p7_hexamer_51
6HCV_p7_hexamer_61

Entities:

Entity 1, HCV_p7_hexamer_1 63 residues - 6762.151 Da.

1   GLYALALYSASNVALILEVALLEUASNALA
2   ALASERALAALAGLYASNHISGLYPHEPHE
3   TRPGLYLEULEUVALVALTHRLEUALATRP
4   HISVALLYSGLYARGLEUVALPROGLYALA
5   THRTYRLEUSERLEUGLYVALTRPPROLEU
6   LEULEUVALARGLEULEUARGPROHISARG
7   ALALEUALA

Samples:

sample_1: HCV p7 (monomer), [U-100% 13C; U-100% 15N; U-80% 2H], 0.8 mM; DPC 200 mM; MES 25 mM; H2O 95%; D2O 5%

sample_2: HCV p7 (monomer), [U-100% 13C; U-100% 15N], 0.8 mM; DPC, [U-2H], 200 mM; MES 25 mM; H2O 95%; D2O 5%

sample_3: HCV p7 (monomer), [U-15% 13C], 0.8 mM; DPC, [U-2H], 200 mM; MES 25 mM; H2O 95%; D2O 5%

sample_4: HCV p7 (monomer), [U-15N; U-2H], 0.4 mM; HCV p7 (monomer), [U-13C], 0.4 mM; DPC, [U-2H], 200 mM; MES 25 mM; H2O 95%; D2O 5%

sample_5: HCV p7 (monomer), [U-100% 13C; U-100% 15N; U-80% 2H], 0.2 mM; DPC 100 mM; MES 25 mM; polyacrylamide gel 4.5%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY (MET)sample_2isotropicsample_conditions_1
3D 1H-13C NOESY (Diag Suppress)sample_2isotropicsample_conditions_1
3D 1H-15N NOESY (mixed NOE)sample_4isotropicsample_conditions_1
2D 1H-15N HSQC (28m CT)sample_3isotropicsample_conditions_1
J-scaled 15N TROSYsample_5anisotropicsample_conditions_1

Software:

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

XEASY, Bartels et al. - NOE assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - chemical shift calculation

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 900 MHz

Related Database Links:

UNP O39928

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts