BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27646

Title: Full assignment of 13C,15N-labeled oncogenic mutant KRas-G12C(1-169) bound to GDP in physiological pH   PubMed: 31468366

Deposition date: 2018-10-12 Original release date: 2019-07-29

Authors: Palfy, Gyula; Vida, Istvan; Perczel, Andras

Citation: Palfy, Gyula; Vida, Istvan; Perczel, Andras. "1H, 15N backbone assignment and comparative analysis of the wild type and G12C, G12D, G12V mutants of K-Ras bound to GDP at physiological pH"  Biomol. NMR Assignments 14, 1-7 (2020).

Assembly members:
K-Ras-G12C(1-169), polymer, 171 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_GDP, non-polymer, 443.201 Da.

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

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

Entity Sequences (FASTA):
K-Ras-G12C(1-169): GHMTEYKLVVVGACGVGKSA LTIQLIQNHFVDEYDPTIED SYRKQVVIDGETCLLDILDT AGQEEYSAMRDQYMRTGEGF LCVFAINNTKSFEDIHHYRE QIKRVKDSEDVPMVLVGNKC DLPSRTVDTKQAQDLARSYG IPFIETSAKTRQGVDDAFYT LVREIRKHKEK

Data sets:
Data typeCount
13C chemical shifts619
15N chemical shifts164
1H chemical shifts348
T1 relaxation values138
T2 relaxation values138
heteronuclear NOE values138
order parameters154

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1KRas-G12C(1-169)1
2Mg2+2
3GDP3

Entities:

Entity 1, KRas-G12C(1-169) 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, Mg2+ - Mg - 24.305 Da.

1   MG

Entity 3, GDP - C10 H15 N5 O11 P2 - 443.201 Da.

1   GDP

Samples:

sample_1: K-Ras-G12C(1-169), [U-100% 13C; U-100% 15N], 0.45 mM; GDP 5 mM; Mg2+ 15 mM; EDTA 10 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; Na2HPO4 10 mM; KH2PO4 2 mM; D2O, [U-100% 2H], 10%; sodium azide 3 mM; DSS 1%

sample_2: K-Ras-G12C(1-169), [U-100% 15N], 0.7 mM; GDP 5 mM; Mg2+ 15 mM; EDTA 10 mM; sodium chloride 137 mM; potassium chloride 2.7 mM; Na2HPO4 10 mM; KH2PO4 2 mM; D2O, [U-100% 2H], 10%; sodium azide 3 mM; DSS 1%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D BEST-HNCOsample_1isotropicsample_conditions_1
3D BEST-HNCAsample_1isotropicsample_conditions_1
3D BEST-HNCACBsample_1isotropicsample_conditions_1
3D BEST-HN(CO)CAsample_1isotropicsample_conditions_1
3D BEST-HN(CA)COsample_1isotropicsample_conditions_1
3D CC(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance III 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts