BMRB Entry 53756

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53756

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Title:
Staphylococcus aureus protein A, immunoglobulin-binding B domain, wild type
Deposition date:
2026-05-05
Original release date:
2026-09-02
Authors:
Hayashi, Seiichiro; Yanaka, Saeko; Yagi-Utsumi, Maho; Isono, Yukiko; Kato, Koichi; Kuwajima, Kunihiro
Citation:

Citation: Hayashi, Seiichiro; Yanaka, Saeko; Yagi-Utsumi, Maho; Isono, Yukiko; Kato, Koichi; Kuwajima, Kunihiro. "Hydrogen-exchange behavior of the L20A mutant of the protein A B domain in guanidinium chloride: evidence for persistent native-like contacts "  Sci. Rep. 16, 25491-25491 (2026).
PubMed: 42259873

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMADNKFNKEQQNAFYEI LHLPNLNEEQRNGFIQSLKD DPSQSANLLAEAKKLNDAQA PK

Data sets:
Data typeCount
13C chemical shifts367
15N chemical shifts115
1H chemical shifts115

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 62 residues - Formula weight is not available

1   GLYSERHISMETALAASPASNLYSPHEASN
2   LYSGLUGLNGLNASNALAPHETYRGLUILE
3   LEUHISLEUPROASNLEUASNGLUGLUGLN
4   ARGASNGLYPHEILEGLNSERLEULYSASP
5   ASPPROSERGLNSERALAASNLEULEUALA
6   GLUALALYSLYSLEUASNASPALAGLNALA
7   PROLYS

Samples:

sample_1: Staphylococcus aureus protein A, immunoglobulin-binidng B domain, [U-13C; U-15N], 1 mM; sodium chloride 100 mM; sodium formate 20 mM

sample_2: Staphylococcus aureus protein A, immunoglobulin-binidng B domain, [U-13C; U-15N], 1 mM

sample_3: Staphylococcus aureus protein A, immunoglobulin-binidng B domain, [U-13C; U-15N], 1 mM; DMSO, [U-2H], 94.5%; H2O 5%; dichloroacetic acid, [U-2H], 0.5%

sample_conditions_1: ionic strength: 0.12 M; pH: 3.4; pressure: 1 atm; temperature: 288 K

sample_conditions_2: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 303 K

sample_conditions_3: ionic strength: 0 M; pH*: 5.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D HN(CO)CACBsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
3D HN(CO)CAsample_2isotropicsample_conditions_2
3D HNCOsample_2isotropicsample_conditions_2
3D HN(CA)COsample_2isotropicsample_conditions_2

Software:

TOPSPIN - collection

POKY - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

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