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BMRB Entry 26753

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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/BMR26753
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Title: NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) in complex with ADP-ribose

Deposition date: 2016-03-09 Original release date: 2018-06-25

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: 1H, 13C, 15N backbone and side-chain resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) in complex with ADP-ribose"  Biomol. NMR Assignments ., .-..

Assembly members:
VEEV_macro_domain, polymer, 160 residues, 17251.6 Da.
entity_APR, non-polymer, 559.316 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 shifts651
15N chemical shifts153
1H chemical shifts1055

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1VEEV macro domain1
2ADP ribose2

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

Entity 2, ADP ribose - C15 H23 N5 O14 P2 - 559.316 Da.

1   APR

Samples:

sample_1: VEEV macro domain, [U-99% 15N], 0.18 mM; Adenosine diphosphate ribose 0.2 mM; Buffer HEPES 10 mM; NaCl 20 mM

sample_2: VEEV macro domain, [U-98% 13C; U-98% 15N], 0.21 mM; Adenosine diphosphate ribose 0.26 mM; Buffer HEPES 10 mM; NaCl 20 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
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 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

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

CARA v1.5.5, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance HD-III HD 700 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