BMRB Entry 50773

Title:
Backbone 1H, 15N assignment of 15N-labeled oncogenic mutant human KRas4B-G12V(1-169) bound to GTP at physiological pH
Deposition date:
2021-02-17
Original release date:
2022-07-05
Authors:
Palfy, Gyula; 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_GTP, non-polymer, 523.180 Da.
entity_MG, non-polymer, 24.305 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
15N chemical shifts117
1H chemical shifts117

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1KRas-G12V1
2GTP2
3Mg2+3

Entities:

Entity 1, KRas-G12V 171 residues - Formula weight is not available

1   GLYHISMETTHRGLUTYRLYSLEUVALVAL
2   VALGLYALAVALGLYVALGLYLYSSERALA
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, GTP - C10 H16 N5 O14 P3 - 523.180 Da.

1   GTP

Entity 3, Mg2+ - Mg - 24.305 Da.

1   MG

Samples:

sample_1: KRas-G12V, [U-100% 15N], 1 mM; GTP 80 mM; MgCl2 15 mM; EDTA 10 mM; D2O, [U-100% 2H], 10 % v/v; DSS 1 % v/v; NaCl 137 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM

sample_conditions_1: ionic strength: 0.3 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_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