BMRB Entry 30531

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30531
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Bat coronavirus HKU4 SUD-C
Deposition date:
2018-10-29
Original release date:
2019-09-06
Authors:
Staup, A.; Johnson, M.
Citation:

Citation: Staup, Andrew; De Silva, Ivon; Catt, Justin; Tan, Xuan; Hammond, Robert; Johnson, Margaret. "Structure of the SARS-Unique Domain C From the Bat Coronavirus HKU4"  Nat. Prod. Commun. 14, .-. (2019).
PubMed: 32395093

Assembly members:

Assembly members:
entity_1, polymer, 81 residues, 9122.299 Da.

Natural source:

Natural source:   Common Name: Bat coronavirus   Taxonomy ID: 694007   Superkingdom: Viruses   Kingdom: not available   Genus/species: Bat coronavirus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pET15b-TEV

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SHMQTPETAFINNVTSNGGY HSWHLVSGDLIVKDVCYKKL LHWSGQTICYADNKFYVVKN DVALPFSDLEACRAYLTSRA A

Data typeCount
13C chemical shifts324
15N chemical shifts85
1H chemical shifts535

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 81 residues - 9122.299 Da.

1   SERHISMETGLNTHRPROGLUTHRALAPHE
2   ILEASNASNVALTHRSERASNGLYGLYTYR
3   HISSERTRPHISLEUVALSERGLYASPLEU
4   ILEVALLYSASPVALCYSTYRLYSLYSLEU
5   LEUHISTRPSERGLYGLNTHRILECYSTYR
6   ALAASPASNLYSPHETYRVALVALLYSASN
7   ASPVALALALEUPROPHESERASPLEUGLU
8   ALACYSARGALATYRLEUTHRSERARGALA
9   ALA

Samples:

sample_1: sodium chloride 150 mM; DTT, [U-99% 2H], 3 mM; sodium phosphate 20 mM; HKU4 SUD-C, [U-99% 13C; U-99% 15N], 2 mM; sodium azide 0.02 % w/v

sample_2: sodium chloride 150 mM; sodium phosphate 20 mM; HKU4 SUD-C, [U-99% 15N], 2 mM; sodium azide 0.02 % w/v; dtt, [U-99% 2H], 3 mM

sample_conditions_1: ionic strength: 176 mM; pH: 6.00; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2anisotropicsample_conditions_1
3D CBCA(CO)NHsample_1anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D HNCACBsample_1anisotropicsample_conditions_1
3D 1H-15N NOESYsample_2anisotropicsample_conditions_1
3D HN(CO)CAsample_1anisotropicsample_conditions_1
3D HBHA(CO)NHsample_1anisotropicsample_conditions_1
3D 1H-15N TOCSYsample_2anisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1anisotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1anisotropicsample_conditions_1
3D HCCH-TOCSYsample_1anisotropicsample_conditions_1
3D HNCOsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment

CANDID, Herrmann, Guntert and Wuthrich - peak picking

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

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

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