BMRB Entry 50774

Title:
Full assignment of 13C,15N-labeled Mg2+-free oncogenic mutant human KRas4B-G12C(1-169) bound to GDP in open conformation at physiological pH
Deposition date:
2021-02-17
Original release date:
2022-07-05
Authors:
Palfy, Gyula; Akontz-Kiss, Hanna; Vida, Istvan; Perczel, Andras
Citation:

Citation: Palfy, Gyula; Menyhard, Dora; Akontz-Kiss, Hanna; Vida, Istvan; Batta, Gyula; Toke, Orsolya; Perczel, Andras. "The Importance of Mg2+-free State in Nucleotide Exchange of Oncogenic K-Ras Mutants"  Chemistry 28, e202201449-e202201449 (2022).
PubMed: 35781716

Assembly members:

Assembly members:
entity_1, polymer, 171 residues, Formula weight is not available
entity_GDP, non-polymer, 443.201 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: BL21

Data sets:
Data typeCount
13C chemical shifts597
15N chemical shifts163
1H chemical shifts226

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1KRas-G12C1
2GDP2

Entities:

Entity 1, KRas-G12C 171 residues - Formula weight is not available

1   GLYHISMETTHRGLUTYRLYSLEUVALVAL
2   VALGLYALACYSGLYVALGLYLYSSERALA
3   LEUTHRILEGLNLEUILEGLNASNHISPHE
4   VALASPGLUTYRASPPROTHRILEGLUASP
5   SERTYRARGLYSGLNVALVALILEASPGLY
6   GLUTHRCYSLEULEUASPILELEUASPTHR
7   ALAGLYGLNGLUGLUTYRSERALAMETARG
8   ASPGLNTYRMETARGTHRGLYGLUGLYPHE
9   LEUCYSVALPHEALAILEASNASNTHRLYS
10   SERPHEGLUASPILEHISHISTYRARGGLU
11   GLNILELYSARGVALLYSASPSERGLUASP
12   VALPROMETVALLEUVALGLYASNLYSCYS
13   ASPLEUPROSERARGTHRVALASPTHRLYS
14   GLNALAGLNASPLEUALAARGSERTYRGLY
15   ILEPROPHEILEGLUTHRSERALALYSTHR
16   ARGGLNGLYVALASPASPALAPHETYRTHR
17   LEUVALARGGLUILEARGLYSHISLYSGLU
18   LYS

Entity 2, GDP - C10 H15 N5 O11 P2 - 443.201 Da.

1   GDP

Samples:

sample_1: Mg2+-free KRas-G12C-GDP, [U-100% 13C; U-100% 15N], 1 mM; EDTA 10 mM; D2O, [U-100% 2H], 10%; DSS 1%; NaCl 137 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D BEST-TROSY HNCOsample_1isotropicsample_conditions_1
3D BEST-TROSY HN(CA)COsample_1isotropicsample_conditions_1
3D BEST-TROSY HNCAsample_1isotropicsample_conditions_1
3D BEST-TROSY HN(CO)CAsample_1isotropicsample_conditions_1
3D BEST-TROSY HNCACBsample_1isotropicsample_conditions_1
3D BEST-TROSY HN(CO)CACBsample_1isotropicsample_conditions_1
3D CC(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.6 - collection, processing

CARA - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

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