BMRB Entry 52009

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52009

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Title:
Full assignment of 13C,15N-labeled oncogenic mutant human KRas4B-G12C(1-169) bound to GDP and free of Mg2+ ion at physiological pH
Deposition date:
2023-06-28
Original release date:
2023-07-02
Authors:
Gadanecz, Marton; Palfy, Gyula; Perczel, Andras
Citation:

Citation: Gadanecz, Marton; Fazekas, Zsolt; Palfy, Gyula; Menyhard, Dora; Perczel, Andras. "NMR-Chemical-Shift-Driven Protocol Reveals the Cofactor-Bound, Complete Structure of Dynamic Intermediates of the Catalytic Cycle of Oncogenic KRAS G12C Protein and the Significance of the Mg2+ Ion"  Int. J. Mol. Sci. 24, 12101-12101 (2023).
PubMed: 37569478

Assembly members:

Assembly members:
entity_1, polymer, 169 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: pET-15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTEYKLVVVGACGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEK

Data sets:
Data typeCount
13C chemical shifts463
15N chemical shifts158
1H chemical shifts906

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1KRAS-G12C1
2GDP2

Entities:

Entity 1, KRAS-G12C 169 residues - Formula weight is not available

1   METTHRGLUTYRLYSLEUVALVALVALGLY
2   ALACYSGLYVALGLYLYSSERALALEUTHR
3   ILEGLNLEUILEGLNASNHISPHEVALASP
4   GLUTYRASPPROTHRILEGLUASPSERTYR
5   ARGLYSGLNVALVALILEASPGLYGLUTHR
6   CYSLEULEUASPILELEUASPTHRALAGLY
7   GLNGLUGLUTYRSERALAMETARGASPGLN
8   TYRMETARGTHRGLYGLUGLYPHELEUCYS
9   VALPHEALAILEASNASNTHRLYSSERPHE
10   GLUASPILEHISHISTYRARGGLUGLNILE
11   LYSARGVALLYSASPSERGLUASPVALPRO
12   METVALLEUVALGLYASNLYSCYSASPLEU
13   PROSERARGTHRVALASPTHRLYSGLNALA
14   GLNASPLEUALAARGSERTYRGLYILEPRO
15   PHEILEGLUTHRSERALALYSTHRARGGLN
16   GLYVALASPASPALAPHETYRTHRLEUVAL
17   ARGGLUILEARGLYSHISLYSGLULYS

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

1   GDP

Related Database Links:

UNP P01116

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