BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 17964

Title: Backbone 1H, 13C, and 15N Chemical Shift Assignment for inactive HIV-1 protease CRF01_AE

Deposition date: 2011-09-29 Original release date: 2012-06-05

Authors: Huang, Xi; Fanucci, Gail

Citation: Huang, Xi; Fanucci, Gail. "Backbone 1H, 13C, and 15N Chemical Shift Assignment for HIV-1 protease Variants"  Biomol. NMR Assignments ., .-..

Assembly members:
HIV-1_Protease, polymer, 99 residues, Formula weight is not available

Natural source:   Common Name: HIV   Taxonomy ID: 11676   Superkingdom: Viruses   Kingdom: not available   Genus/species: Lentivirus HIV-1

Experimental source:   Production method: chemical synthesis   Host organism: Escherichia coli

Entity Sequences (FASTA):
HIV-1_Protease: PQITLWKRPLVTVKIGGQLK EALLNTGADDTVIEDINLPG KWKPKMIGGIGGFIKVRQYD QIIIEIAGKKAIGTVLVGPT PVNIIGRNMLTQIGATLNF

Data sets:
Data typeCount
13C chemical shifts172
15N chemical shifts90
1H chemical shifts90

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HIV-1 Protease CRF01_AE, chain 11
2HIV-1 Protease CRF01_AE, chain 21

Entities:

Entity 1, HIV-1 Protease CRF01_AE, chain 1 99 residues - Formula weight is not available

1   PROGLNILETHRLEUTRPLYSARGPROLEU
2   VALTHRVALLYSILEGLYGLYGLNLEULYS
3   GLUALALEULEUASNTHRGLYALAASPASP
4   THRVALILEGLUASPILEASNLEUPROGLY
5   LYSTRPLYSPROLYSMETILEGLYGLYILE
6   GLYGLYPHEILELYSVALARGGLNTYRASP
7   GLNILEILEILEGLUILEALAGLYLYSLYS
8   ALAILEGLYTHRVALLEUVALGLYPROTHR
9   PROVALASNILEILEGLYARGASNMETLEU
10   THRGLNILEGLYALATHRLEUASNPHE

Samples:

HIV-1_Protease_CRF01_AE_sample: HIV-1 Protease CRF_01 AE, [U-100% 13C; U-100% 15N], 0.1 mM

HIV-1_Protease_CRF01_AE_sample_condition: ionic strength: 2 mM; pH: 5.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHHIV-1_Protease_CRF01_AE_sampleisotropicHIV-1_Protease_CRF01_AE_sample_condition
3D HNCAHIV-1_Protease_CRF01_AE_sampleisotropicHIV-1_Protease_CRF01_AE_sample_condition
3D HNCACBHIV-1_Protease_CRF01_AE_sampleisotropicHIV-1_Protease_CRF01_AE_sample_condition
3D HN(CO)CAHIV-1_Protease_CRF01_AE_sampleisotropicHIV-1_Protease_CRF01_AE_sample_condition

Software:

xwinnmr, Bruker Biospin - collection

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

SPARKY, Goddard - peak picking, processing

NMR spectrometers:

  • Bruker Avance 600 MHz

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