BMRB Entry 50828

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50828

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Title:
Amide NH assignments of the S137C mutant of the armadillo designed protein YM4A tagged with the diamagnetic PCS tag Lu-4R4S-DOTA-M8 and their corresponding PCSs upon tagging with the paramagnetic tag Tm-4R4S_DOTA-M8
Deposition date:
2021-03-13
Original release date:
2021-08-09
Authors:
Cucuzza, Stefano; Guntert, Peter; Pluckthun, Andreas; Zerbe, Oliver
Citation:

Citation: Cucuzza, Stefano; Guntert, Peter; Pluckthun, Andreas; Zerbe, Oliver. "An automated iterative approach for protein structure refinement using pseudocontact shifts"  J. Biomol. NMR 75, 319-334 (2021).
PubMed: 34338940

Assembly members:

Assembly members:
entity_1, polymer, 241 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pEM3BT2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GELPQMVQQLNSPDQQELQS ALRKLSQIASGGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQIQA VIDAGALPALVQLLSSPNEQ ILQEALWALSNIASGGNEQI QAVIDAGALPALVQLLCSPN EQILQEALWALSNIASGGNE QIQAVIDAGALPALVQLLSS PNEQILQEALWALSNIASGG NEQKQAVKEAGALEKLEQLQ SHENEKIQKEAQEALEKLQS H

Data sets:
Data typeCount
15N chemical shifts222
1H chemical shifts221

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1S137C_YM4A1

Entities:

Entity 1, S137C_YM4A 241 residues - Formula weight is not available

1   GLYGLULEUPROGLNMETVALGLNGLNLEU
2   ASNSERPROASPGLNGLNGLULEUGLNSER
3   ALALEUARGLYSLEUSERGLNILEALASER
4   GLYGLYASNGLUGLNILEGLNALAVALILE
5   ASPALAGLYALALEUPROALALEUVALGLN
6   LEULEUSERSERPROASNGLUGLNILELEU
7   GLNGLUALALEUTRPALALEUSERASNILE
8   ALASERGLYGLYASNGLUGLNILEGLNALA
9   VALILEASPALAGLYALALEUPROALALEU
10   VALGLNLEULEUSERSERPROASNGLUGLN
11   ILELEUGLNGLUALALEUTRPALALEUSER
12   ASNILEALASERGLYGLYASNGLUGLNILE
13   GLNALAVALILEASPALAGLYALALEUPRO
14   ALALEUVALGLNLEULEUCYSSERPROASN
15   GLUGLNILELEUGLNGLUALALEUTRPALA
16   LEUSERASNILEALASERGLYGLYASNGLU
17   GLNILEGLNALAVALILEASPALAGLYALA
18   LEUPROALALEUVALGLNLEULEUSERSER
19   PROASNGLUGLNILELEUGLNGLUALALEU
20   TRPALALEUSERASNILEALASERGLYGLY
21   ASNGLUGLNLYSGLNALAVALLYSGLUALA
22   GLYALALEUGLULYSLEUGLUGLNLEUGLN
23   SERHISGLUASNGLULYSILEGLNLYSGLU
24   ALAGLNGLUALALEUGLULYSLEUGLNSER
25   HIS

Samples:

sample_1: S137C_YM4A, [U-99% 15N], 150 uM; Na2HPO4 20 mM; trimethylsilylpropanoate 2 mM

sample_2: S137C_YM4A, [U-99% 15N], 150 uM; Na2HPO4 20 mM; trimethylsilylpropanoate 2 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1

Software:

TOPSPIN v4.0.4 - collection, processing

CARA - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz

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