BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 51292

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51292
MolProbity Validation Chart

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Title: Amide NH assignments of the E15C mutant of the armadillo designed protein A4M4A tagged with the diamagnetic PCS tag Lu-4R4S-DOTA-M7 and their corresponding PCSs upon tagging with the paramagnetic tag Tm-4R4S_DOTA-M7   PubMed: 35657362

Deposition date: 2022-01-25 Original release date: 2022-05-31

Authors: Cucuzza, Stefano; Zerbe, Oliver; Michel, Erich; Pluckthun, Andreas

Citation: Michel, Erich; Cucuzza, Stefano; Mittl, Peer; Zerbe, Oliver; Pluckthun, Andreas. "Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design"  Biochemistry 62, 318-329 (2023).

Assembly members:
entity_1, polymer, 241 residues, 25360.80 Da.
entity_2, non-polymer, Formula weight is not available
entity_3, non-polymer, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

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

Entity Sequences (FASTA):
entity_1: PDLPKLVKLLKSSNCEILLK ALRALAEIASGGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQIQA VIDAGALPALVQLLSSPNEQ ILQEALWALSNIASGGNEQI QAVIDAGALPALVQLLSSPN 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
1E15C_A4M4A1
2Lu-4R4S-DOTA-M72
3Tm-4R4S-DOTA-M73

Entities:

Entity 1, E15C_A4M4A 241 residues - 25360.80 Da.

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

Entity 2, Lu-4R4S-DOTA-M7 - Formula weight is not available

Entity 3, Tm-4R4S-DOTA-M7 - Formula weight is not available

Samples:

sample_1: E15C_A4M4A, [U-99% 15N], 150 uM; Na2HPO4 20 mM; TCEP 2 mM; TMSP 2 mM

sample_2: E15C_A4M4A, [U-99% 15N], 150 uM; Na2HPO4 20 mM; TCEP 2 mM; TMSP 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 shifts
SPARKY: Backbone or all simulated shifts