BMRB Entry 30825

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30825
MolProbity Validation Chart

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Title:
Solution structures of full-length K-RAS bound to GDP
Deposition date:
2020-12-09
Original release date:
2022-06-20
Authors:
Sharma, A.; Maciag, A.
Citation:

Citation: Sharma, A.; Maciag, A.. "Solution structures of full-length K-RAS bound to GDP"  .

Assembly members:

Assembly members:
entity_1, polymer, 188 residues, 21459.605 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEKMSKDGKKKKKK SKTKCVIM

Data sets:
Data typeCount
13C chemical shifts763
15N chemical shifts190
1H chemical shifts1255

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 188 residues - 21459.605 Da.

1   METTHRGLUTYRLYSLEUVALVALVALGLY
2   ALAGLYGLYVALGLYLYSSERALALEUTHR
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   ARGGLUILEARGLYSHISLYSGLULYSMET
18   SERLYSASPGLYLYSLYSLYSLYSLYSLYS
19   SERLYSTHRLYSCYSVALILEMET

Samples:

sample_1: MES, [U-2H], 20 ± 1 mM; potassium chloride 100 ± 5 mM; sodium chloride 50 ± 2 mM; MgCl2 2 ± 0.05 mM; TCEP, [U-2H], 1 ± 0.05 mM; D2O, [U-2H], 7 ± 0.1 mM; sodium azide 0.05 ± 0.005 %; GTPase KRas, [U-100% 15N], 0.7 – 0.9 mM

sample_2: MES, [U-2H], 20 ± 1 mM; potassium chloride 100 ± 5 mM; sodium chloride 50 ± 2 mM; MgCl2 2 ± 0.05 mM; TCEP, [U-2H], 1 ± 0.05 mM; D2O, [U-2H], 7 ± 0.1 mM; sodium azide 0.05 ± 0.005 %; GTPase KRas, [U-13C; U-15N], 0.7 – 0.9 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_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1

Software:

TopSpin v4.0, Bruker Biospin - collection

NMRPipe v10.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNmr Analysis v2.4, CCPN - chemical shift assignment

PONDEROSA, Lee W, Petit CM, Cornilescu G, Stark JL, Markley JL. - peak picking, refinement

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 800 MHz
  • Bruker AVANCE 900 MHz
  • Bruker AVANCE III 700 MHz

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