BMRB Entry 52024

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52024

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Title:
Backbone 1H, 15N and 13C chemical shift assignments for the G-domain of human K-Ras4B(1-169) G12C mutant bound to GTP at physiological pH
Deposition date:
2023-07-10
Original release date:
2023-08-22
Authors:
Yuan, Chunhua; Bruschweiler-Li, Lei; Bruschweiler, Rafael
Citation:

Citation: Hansen, Alexandar; Xiang, Xinyao; Yuan, Chunhua; Bruschweiler-Li, Lei; Bruschweiler, Rafael. "Excited-state observation of active K-Ras reveals differential structural dynamics of wild-type versus oncogenic G12D and G12C mutants"  Nat. Struct. Biol. 30, 1446-1455 (2023).
PubMed: 37640864

Assembly members:

Assembly members:
entity_1, polymer, 172 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: pTBSG1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SNAMTEYKLVVVGACGVGKS ALTIQLIQNHFVDEYDPTIE DSYRKQVVIDGETCLLDILD TAGQEEYSAMRDQYMRTGEG FLCVFAINNTKSFEDIHHYR EQIKRVKDSEDVPMVLVGNK CDLPSRTVDTKQAQDLARSY GIPFIETSAKTRQGVDDAFY TLVREIRKHKEK

Data sets:
Data typeCount
13C chemical shifts491
15N chemical shifts165
1H chemical shifts166

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1K-Ras G12C mutant1
2GTP2
3Magnesium ion3

Entities:

Entity 1, K-Ras G12C mutant 172 residues - Formula weight is not available

1   SERASNALAMETTHRGLUTYRLYSLEUVAL
2   VALVALGLYALACYSGLYVALGLYLYSSER
3   ALALEUTHRILEGLNLEUILEGLNASNHIS
4   PHEVALASPGLUTYRASPPROTHRILEGLU
5   ASPSERTYRARGLYSGLNVALVALILEASP
6   GLYGLUTHRCYSLEULEUASPILELEUASP
7   THRALAGLYGLNGLUGLUTYRSERALAMET
8   ARGASPGLNTYRMETARGTHRGLYGLUGLY
9   PHELEUCYSVALPHEALAILEASNASNTHR
10   LYSSERPHEGLUASPILEHISHISTYRARG
11   GLUGLNILELYSARGVALLYSASPSERGLU
12   ASPVALPROMETVALLEUVALGLYASNLYS
13   CYSASPLEUPROSERARGTHRVALASPTHR
14   LYSGLNALAGLNASPLEUALAARGSERTYR
15   GLYILEPROPHEILEGLUTHRSERALALYS
16   THRARGGLNGLYVALASPASPALAPHETYR
17   THRLEUVALARGGLUILEARGLYSHISLYS
18   GLULYS

Entity 2, GTP - C10 H16 N5 O14 P3 - 523.180 Da.

1   GTP

Entity 3, Magnesium ion - Mg - 24.305 Da.

1   MG

Samples:

sample_1: K-Ras G12C mutant, [U-100% 13C; U-100% 15N], 650 uM; GUANOSINE-5'-TRIPHOSPHATE 10 mM; Magnesium ion 5 mM

sample_conditions_1: ionic strength: 30 mM; pH: 7.0; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 15N-separated NOESYsample_1isotropicsample_conditions_1
3D 15N-separated NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

NMRViewJ - data analysis

NMR spectrometers:

  • Bruker AVANCE III 850 MHz

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