BMRB Entry 50238

Title:
Backbone (1H, 13C and 15N) Chemical Shift Assignments and 15N Relaxation Parameters for protein kinase Inhibitor alpha (PKIa) free state   PubMed: 32338601
Deposition date:
2020-04-17
Original release date:
2020-05-15
Authors:
Olivieri, Cristina; Li, Geoffrey; Veliparambil Subrahmanian, Manu; Veglia, Gianluigi
Citation:

Citation: Olivieri, Cristina; Wang, Yingjie; Li, Geoffrey; Veliparambil Subrahmanian, Manu; Kim, Jonggul; Stultz, Benjamin; Neibergall, Matthew; Porcelli, Fernando; Muretta, Joseph; Thomas, David; Gao, Jiali; Blumenthal, Donald; Taylor, Susan; Veglia, Gianluigi. "Multi-state recognition pathway of the intrinsically disordered protein kinase inhibitor by protein kinase A"  eLIFE 9, e55607-e55607 (2020).

Assembly members:

Assembly members:
entity_1, polymer, 75 residues, 7857.33 Da.

Natural source:

Natural source:   Common Name: rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pT7-7

Experimental source:

Natural source:   Common Name: rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pT7-7

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts208
15N chemical shifts74
1H chemical shifts425
T1 relaxation values73
T2 relaxation values73
heteronuclear NOE values70

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PKIA1

Entities:

Entity 1, PKIA 75 residues - 7857.33 Da.

1   THRASPVALGLUTHRTHRTYRALAASPPHE
2   ILEALASERGLYARGTHRGLYARGARGASN
3   ALAILEHISASPILELEUVALSERSERALA
4   SERGLYASNSERASNGLULEUALALEULYS
5   LEUALAGLYLEUASPILEASNLYSTHRGLU
6   GLYGLUGLUASPALAGLNARGSERSERTHR
7   GLUGLNSERGLYGLUALAGLNGLYGLUALA
8   ALALYSSERGLUSER

Samples:

sample_1: cAMP-dependent protein kinase A Inhibitor alpha (PKIA), [U-13C; U-15N], 0.65 mM; potassium phosphate 20 mM; potassium chloride 90 mM; magnesium chloride 10 mM; DTT 10 mM; sodium azide 1 mM

sample_2: cAMP-dependent protein kinase A Inhibitor alpha (PKIA), [U-15N; U-2H], 0.45 mM; potassium phosphate 20 mM; potassium chloride 90 mM; magnesium chloride 10 mM; DTT 10 mM; sodium azide 1 mM

sample_3: cAMP-dependent protein kinase A Inhibitor alpha (PKIA), [U-15N], 0.3 mM; potassium phosphate 20 mM; potassium chloride 90 mM; magnesium chloride 10 mM; DTT 10 mM; sodium azide 1 mM

sample_conditions_1: ionic strength: 0.24 M; pH: 6.5; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESY-HSQCsample_1isotropicsample_conditions_1
3D 1H-15N TOCSY-HSQCsample_1isotropicsample_conditions_1
3D CC(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
T1/R1 relaxationsample_2isotropicsample_conditions_1
T2/R2 relaxationsample_2isotropicsample_conditions_1
1H-15N heteronoesample_2isotropicsample_conditions_1
RDCsample_3anisotropicsample_conditions_1
RDCsample_3anisotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - data analysis, processing

NMRDraw - processing

SPARKY vNMRFam - chemical shift assignment, chemical shift calculation, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance III 850 MHz
  • Bruker Avance III 900 MHz
  • Varian INOVA 600 MHz

Related Database Links:

UNP P61926
AlphaFold P04541

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