BMRB Entry 25530

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25530

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Title:
AQ1974
Deposition date:
2015-03-11
Original release date:
2015-04-20
Authors:
Sachleben, Joseph; Adhikari, Aashish; Gawlak, Grzegorz; Hoey, Robert; Liu, Gaohua; Joachimiak, Andrzej; Montelione, Gaetano; Sosnick, Tobin; Koide, Shohei
Citation:

Citation: Sachleben, Joseph; Adhikari, Aashish; Gawlak, Grzegorz; Hoey, Robert; Liu, Gaohua; Joachimiak, Andrzej; Montelione, Gaetano; Sosnick, Tobin; Koide, Shohei. "Aromatic Claw: A new fold with high aromatic content that evades structural prediction"  Protein Sci. 26, 208-217 (2017).
PubMed: 27750371

Assembly members:

Assembly members:
Aq1974, polymer, 86 residues, 10415.854 Da.

Natural source:

Natural source:   Common Name: Aquifex aeolicus   Taxonomy ID: 63363   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Aquifex aeolicus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pHFT1-Aq1974

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Aq1974: GSEEKEEKKVRELTPQELEL FKRAMGITPHNYWQWASRTN NFKLLTDGEWVWVEGYEEHI GKQLPLNQARAWSWEFIKNR LKELNL

Data sets:
Data typeCount
13C chemical shifts385
15N chemical shifts77
1H chemical shifts587

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AQ19741

Entities:

Entity 1, AQ1974 86 residues - 10415.854 Da.

The initial Gly-Ser are the remnant of the TEV cleavage site used to remove the histidine purification tag.

1   GLYSERGLUGLULYSGLUGLULYSLYSVAL
2   ARGGLULEUTHRPROGLNGLULEUGLULEU
3   PHELYSARGALAMETGLYILETHRPROHIS
4   ASNTYRTRPGLNTRPALASERARGTHRASN
5   ASNPHELYSLEULEUTHRASPGLYGLUTRP
6   VALTRPVALGLUGLYTYRGLUGLUHISILE
7   GLYLYSGLNLEUPROLEUASNGLNALAARG
8   ALATRPSERTRPGLUPHEILELYSASNARG
9   LEULYSGLULEUASNLEU

Samples:

sample_1: Aq1974, [U-100% 13C; U-100% 15N], 0.332 mM; sodium phosphate 20 mM; sodium chloride 150 mM; H20 93%; D20 7%

sample_conditions_1: ionic strength: 180 mM; pH: 7.4; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance III HD 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

UNP O67784 - Y1974_AQUAE
AlphaFold O67784

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