BMRB Entry 52910

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52910

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Title:
1H, 13C, 15N, and 31P resonance assignments of the Q61R mutant of NRAS bound to GTP.
Deposition date:
2025-02-14
Original release date:
2026-01-15
Authors:
Sharma, Alok
Citation:

Citation: Sharma, Alok; Tonelli, Marco; Dyba, Marcin; Gillette, William; Esposito, Dominic; Nissley, Dwight; McCormick, Frank; Maciag, Anna. "NMR 1H, 13C, and 15N resonance assignments of the oncogenic Q61R variant of human NRAS in the active, GTP-bound conformation"  Biomol. NMR Assign. 19, 195-203 (2025).
PubMed: 40316884

Assembly members:

Assembly members:
entity_1, polymer, 170 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_GTP, non-polymer, 523.180 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: Vibrio Natriegens   Vector: pDest-566

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GMTEYKLVVVGAGGVGKSAL TIQLIQNHFVDEYDPTIEDS YRKQVVIDGETCLLDILDTA GREEYSAMRDQYMRTGEGFL CVFAINNSKSFADINLYREQ IKRVKDSDDVPMVLVGNKCD LPTRTVDTKQAHELAKSYGI PFIETSAKTRQGVEDAFYTL VREIRQYRMK

Data sets:
Data typeCount
13C chemical shifts725
15N chemical shifts188
1H chemical shifts1162

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1GTPase NRAS1
2Mg2+2
3GTP3

Entities:

Entity 1, GTPase NRAS 170 residues - Formula weight is not available

1   GLYMETTHRGLUTYRLYSLEUVALVALVAL
2   GLYALAGLYGLYVALGLYLYSSERALALEU
3   THRILEGLNLEUILEGLNASNHISPHEVAL
4   ASPGLUTYRASPPROTHRILEGLUASPSER
5   TYRARGLYSGLNVALVALILEASPGLYGLU
6   THRCYSLEULEUASPILELEUASPTHRALA
7   GLYARGGLUGLUTYRSERALAMETARGASP
8   GLNTYRMETARGTHRGLYGLUGLYPHELEU
9   CYSVALPHEALAILEASNASNSERLYSSER
10   PHEALAASPILEASNLEUTYRARGGLUGLN
11   ILELYSARGVALLYSASPSERASPASPVAL
12   PROMETVALLEUVALGLYASNLYSCYSASP
13   LEUPROTHRARGTHRVALASPTHRLYSGLN
14   ALAHISGLULEUALALYSSERTYRGLYILE
15   PROPHEILEGLUTHRSERALALYSTHRARG
16   GLNGLYVALGLUASPALAPHETYRTHRLEU
17   VALARGGLUILEARGGLNTYRARGMETLYS

Entity 2, Mg2+ - Mg - 24.305 Da.

1   MG

Entity 3, GTP - C10 H16 N5 O14 P3 - 523.180 Da.

1   GTP

Samples:

sample_1: Q61R NRAS, [U-100% 13C; U-100% 15N], 0.8 ± 0.05 mM; GTP 0.8 ± 0.05 mM; MgCl2 0.8 ± 0.05 mM; TCEP, [U-2H], 1 ± 0.03 mM; DSS 250 ± 5 uM; MES, [U-2H], 20 ± 0.5 mM; potassium chloride 100 ± 3 mM; sodium chloride 50 ± 0.3 mM; sodium azide 1 ± 0.02 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
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 C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D 15N-separated NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

NMRDraw - data analysis

CcpNMR Analysis vv2.5 - chemical shift assignment

CYANA - Peak Table preparation

TALOS+ - Secondary structure determination

NMR spectrometers:

  • Bruker AVANCE III 900 MHz
  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE III 600 MHz

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