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 27387

Title: NMR 1H,13C,15N resonance assignment of the G12C mutant of human K-Ras bound to GDP   PubMed: 29721757

Deposition date: 2018-01-24 Original release date: 2018-05-08

Authors: Sharma, Alok; Lee, Seung-Joo; Rigby, Alan; Townson, Sharon

Citation: Sharma, Alok; Lee, Seung-Joo; Rigby, Alan; Townson, Sharon. "NMR 1H,13C, 15N backbone and 13C side chain resonance assignment of the G12C mutant of human K-Ras bound to GDP"  Biomol. NMR Assignments 12, 269-272 (2018).

Assembly members:
Ras_family_protein, polymer, 170 residues, Formula weight is not available
GUANOSINE-5'-DIPHOSPHATE, 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   Vector: pET28a

Entity Sequences (FASTA):
Ras_family_protein: SMTEYKLVVVGACGVGKSAL TIQLIQNHFVDEYDPTIEDS YRKQVVIDGETCLLDILDTA GQEEYSAMRDQYMRTGEGFL CVFAINNTKSFEDIHHYREQ IKRVKDSEDVPMVLVGNKCD LPSRTVDTKQAQDLARSYGI PFIETSAKTRQGVDDAFYTL VREIRKHKEK

Data sets:
Data typeCount
13C chemical shifts646
15N chemical shifts164
1H chemical shifts164

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1GTPase KRAS1
2GDP2

Entities:

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

1   SERMETTHRGLUTYRLYSLEUVALVALVAL
2   GLYALACYSGLYVALGLYLYSSERALALEU
3   THRILEGLNLEUILEGLNASNHISPHEVAL
4   ASPGLUTYRASPPROTHRILEGLUASPSER
5   TYRARGLYSGLNVALVALILEASPGLYGLU
6   THRCYSLEULEUASPILELEUASPTHRALA
7   GLYGLNGLUGLUTYRSERALAMETARGASP
8   GLNTYRMETARGTHRGLYGLUGLYPHELEU
9   CYSVALPHEALAILEASNASNTHRLYSSER
10   PHEGLUASPILEHISHISTYRARGGLUGLN
11   ILELYSARGVALLYSASPSERGLUASPVAL
12   PROMETVALLEUVALGLYASNLYSCYSASP
13   LEUPROSERARGTHRVALASPTHRLYSGLN
14   ALAGLNASPLEUALAARGSERTYRGLYILE
15   PROPHEILEGLUTHRSERALALYSTHRARG
16   GLNGLYVALASPASPALAPHETYRTHRLEU
17   VALARGGLUILEARGLYSHISLYSGLULYS

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

1   GDP

Samples:

sample_1: K-Ras4B, [U-99% 13C; U-99% 15N], 0.55 mM; D2O, [U-2H], 7%; TRIS, [U-2H], 50 mM; TCEP, [U-2H], 1 mM; MgCl2 1 mM; sodium chloride 50 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
HN(CA)COsample_1isotropicsample_conditions_1

Software:

NMRPipe v2017.048.14.32, CCPN, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, data analysis, peak picking, processing

NMR spectrometers:

  • Bruker Avance 800 MHz

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