BMRB Entry 51290

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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/BMR51290
MolProbity Validation Chart

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Title:
Amide NH assignments of the S221C 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
Deposition date:
2022-01-24
Original release date:
2022-05-31
Authors:
Cucuzza, Stefano; Zerbe, Oliver; Michel, Erich; Pluckthun, Andreas
Citation:

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).
PubMed: 35657362

Assembly members:

Assembly members:
entity_1, polymer, 241 residues, 25402.83 Da.
entity_2, non-polymer, Formula weight is not available
entity_3, non-polymer, Formula weight is not available

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: PDLPKLVKLLKSSNEEILLK ALRALAEIASGGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQIQA VIDAGALPALVQLLSSPNEQ ILQEALWALSNIASGGNEQI QAVIDAGALPALVQLLSSPN EQILQEALWALSNIASGGNE QIQAVIDAGALPALVQLLSS PNEQILQEALWALSNIASGG NEQKQAVKEAGALEKLEQLQ CHENEKIQKEAQEALEKLQS H

Data sets:
Data typeCount
15N chemical shifts220
1H chemical shifts219

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S221C_A4M4A1
2Lu-4R4S-DOTA-M72
3Tm-4R4S-DOTA-M73

Entities:

Entity 1, S221C_A4M4A 241 residues - 25402.83 Da.

1   PROASPLEUPROLYSLEUVALLYSLEULEU
2   LYSSERSERASNGLUGLUILELEULEULYS
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   CYSHISGLUASNGLULYSILEGLNLYSGLU
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: S221C_A4M4A, [U-99% 15N], 150 uM; Na2HPO4 20 mM; TCEP 2 mM; TMSP 2 mM

sample_2: S221C_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
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_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