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 30247

Title: SARS-unique fold in the Rousettus Bat Coronavirus HKU9   PubMed: 28580734

Deposition date: 2017-02-15 Original release date: 2017-06-15

Authors: Hammond, R.; Tan, X.; Johnson, M.

Citation: Hammond, R.; Tan, X.; Johnson, M.. "SARS-Unique Fold in the Rousettus Bat Coronavirus HKU9"  Protein Sci. 26, 1726-1737 (2017).

Assembly members:
entity_1, polymer, 77 residues, 8736.021 Da.

Natural source:   Common Name: BtCoV   Taxonomy ID: 694006   Superkingdom: Viruses   Kingdom: not available   Genus/species: Betacoronavirus BtCoV

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-15bTEV_NESG

Entity Sequences (FASTA):
entity_1: SHMTAVQDFVVDILLNGARD WDVLQTTCTVDRKVYKTICK RGNTYLCFDDTNLYAITGDV VLKFATVSKARAYLETK

Data typeCount
13C chemical shifts332
15N chemical shifts83
1H chemical shifts537

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 77 residues - 8736.021 Da.

1   SERHISMETTHRALAVALGLNASPPHEVAL
2   VALASPILELEULEUASNGLYALAARGASP
3   TRPASPVALLEUGLNTHRTHRCYSTHRVAL
4   ASPARGLYSVALTYRLYSTHRILECYSLYS
5   ARGGLYASNTHRTYRLEUCYSPHEASPASP
6   THRASNLEUTYRALAILETHRGLYASPVAL
7   VALLEULYSPHEALATHRVALSERLYSALA
8   ARGALATYRLEUGLUTHRLYS

Samples:

sample_1: DTT, [U-98% 2H], 5 ± .01 mM; HKU9 NSP3 C domain, [U-13C; U-15N], 1.2 ± .1 mM; sodium azide 0.02 ± .01 %

sample_2: DTT, [U-98% 2H], 5 ± .01 mM; HKU9 NSP3 C domain, [U-15N], 637 ± .1 uM; sodium azide 0.02 ± .01 %

sample_conditions_1: ionic strength: 0.253 M; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1anisotropicsample_conditions_1
3D HNCOsample_1anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D 1H-15N NOESYsample_1anisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1anisotropicsample_conditions_1
3D HBHA(CO)NHsample_1anisotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1anisotropicsample_conditions_1
3D C(CO)NHsample_1anisotropicsample_conditions_1
3D 1H-15N TOCSYsample_2anisotropicsample_conditions_1
3D HCCH-COSYsample_1anisotropicsample_conditions_1
3D HCCH-TOCSYsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1anisotropicsample_conditions_1
3D HNCACBsample_1anisotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1anisotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1anisotropicsample_conditions_1

Software:

AMBER vAMBER03, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

Analysis v2.4, CCPN - data analysis

CARA v1.9.0, Keller and Wuthrich - data analysis

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure calculation

TOPSPIN v3.5, Bruker Biospin - collection

Unio '10 v2.0.3, Serrano P, Pedrini B, Mohanty B, Geralt M, Herrmann T, Wuthrich K. - peak picking

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 700 MHz
  • Bruker AvanceIII 850 MHz

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