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BMRB Entry 25132

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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25132
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Title: NMR study of non-structural proteins - 1H, 13C, 15N resonance assigment of macro domain of Venezuelan equine encephalitis virus (VEEV)

Deposition date: 2014-08-05 Original release date: 2017-11-27

Authors: Makrynitsa, Garyfallia; Ntonti, Dioni; Marousis, Konstantinos; Bentrop, Detlef; Spyroulias, Georgios

Citation: Makrynitsa, Garyfallia; Ntonti, Dioni; Marousis, Konstantinos; Bentrop, Detlef; Spyroulias, Georgios. "NMR study of non-structural proteins Part II: 1H, 13C, 15N backbone & side-chain resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV)"  Biomol. NMR Assignments ., .-..

Assembly members:
VEEV_macro_domain, polymer, 160 residues, 17251.6 Da.

Natural source:   Common Name: Venezuelan equine encephalitis virus   Taxonomy ID: 11036   Superkingdom: Viruses   Kingdom: not available   Genus/species: Alphavirus VEEV

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

Entity Sequences (FASTA):
VEEV_macro_domain: APSYHVVRGDIATATEGVII NAANSKGQPGGGVCGALYKK FPESFDLQPIEVGKARLVKG AAKHIIHAVGPNFNKVSEVE GDKQLAEAYESIAKIVNDNN YKSVAIPLLSTGIFSGNKDR LTQSLNHLLTALDTTDADVA IYCRDKKWEMTLKEAVARRE

Data sets:
Data typeCount
13C chemical shifts629
15N chemical shifts147
1H chemical shifts1000

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1VEEV macro domain1

Entities:

Entity 1, VEEV macro domain 160 residues - 17251.6 Da.

1   ALAPROSERTYRHISVALVALARGGLYASP
2   ILEALATHRALATHRGLUGLYVALILEILE
3   ASNALAALAASNSERLYSGLYGLNPROGLY
4   GLYGLYVALCYSGLYALALEUTYRLYSLYS
5   PHEPROGLUSERPHEASPLEUGLNPROILE
6   GLUVALGLYLYSALAARGLEUVALLYSGLY
7   ALAALALYSHISILEILEHISALAVALGLY
8   PROASNPHEASNLYSVALSERGLUVALGLU
9   GLYASPLYSGLNLEUALAGLUALATYRGLU
10   SERILEALALYSILEVALASNASPASNASN
11   TYRLYSSERVALALAILEPROLEULEUSER
12   THRGLYILEPHESERGLYASNLYSASPARG
13   LEUTHRGLNSERLEUASNHISLEULEUTHR
14   ALALEUASPTHRTHRASPALAASPVALALA
15   ILETYRCYSARGASPLYSLYSTRPGLUMET
16   THRLEULYSGLUALAVALALAARGARGGLU

Samples:

sample_4: VEEV macro domain, [U-99% 15N], 0.02 mM; NaCl 20 mM; HEPES 10 mM

sample_5: VEEV macro domain 0.3 mM; NaCl 20 mM; HEPES 10 mM

sample_1: VEEV macro domain, [U-99% 15N], 0.4 mM; NaCl 20 mM; HEPES 10 mM

sample_2: VEEV macro domain, [U-98% 13C; U-98% 15N], 0.8 mM; NaCl 20 mM; HEPES 10 mM

sample_3: VEEV macro domain, [U-99% 15N], 0.01 mM; NaCl 20 mM; HEPES 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_conditions_1
2D 1H-1H NOESYsample_5isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_5isotropicsample_conditions_1
2D 1H-1H NOESYsample_5isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA v1.5.5, Rochus Keller - chemical shift assignment

NMR spectrometers:

  • Bruker Avance HD-III HD 700 MHz
  • Bruker DPX 400 MHz

Related Database Links:

UNP P36328

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