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Biological Magnetic Resonance Data Bank


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BMRB Entry 17785

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17785

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Title: KRas171*GppNHp backbone chemical shift assignments   PubMed: 21945529

Deposition date: 2011-07-18 Original release date: 2011-09-29

Authors: Kovrigin, Evgenii; P., Casey

Citation: Buhrman, Greg; O'Connor, Casey; Zerbe, Brandon; Kearney, Bradley; Napoleon, Raeanne; Kovrigina, Elizaveta; Vajda, Sandor; Kozakov, Dima; Kovrigin, Evgenii; Mattos, Carla. "Analysis of binding site hot spots on the surface of Ras GTPase"  J. Mol. Biol. 413, .-773 (789).

Assembly members:
KRas171, polymer, 171 residues, 19464.02 Da.
GNP, non-polymer, 522.196 Da.
MG, non-polymer, 24.305 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

Entity Sequences (FASTA):
KRas171: MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHHYREQI KRVKDSEDVPMVLVGNKCDL PSRTVDTKQAQDLARSYGIP FIETSAKTRQGVDDAFYTLV REIRKHKEKMS

Data sets:
Data typeCount
13C chemical shifts368
15N chemical shifts123
1H chemical shifts123

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1G-domain1
2GNP2
3Mg3

Entities:

Entity 1, G-domain 171 residues - 19464.02 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   SER

Entity 2, GNP - C10 H17 N6 O13 P3 - 522.196 Da.

1   GNP

Entity 3, Mg - Mg - 24.305 Da.

1   MG

Samples:

sample_1: KRas171, [U-99% 13C; U-99% 15N], 0.6 ± 0.1 mM; magnesium chloride 10 ± 0.1 mM; GNP 1 ± 0.1 mM; sodium phosphate 200 ± 0.1 mM; DTT 1 ± 0.1 mM; sodium azide 0.01 ± 0.0001 %; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.9; pressure: 1 atm; temperature: 298.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1

Software:

SPARKY v3.115, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 18529 25114 25115 25116 26635
PDB
DBJ BAE33023 BAE37609 BAF85199 BAJ17756
EMBL CAA25624 CAA26295 CAA37336 CAA59755 CAA76678
GB AAA35689 AAA35690 AAA36554 AAA42011 AAA49429
PIR A54321
PRF 0909262B 1707302A
REF NP_001003744 NP_001028153 NP_001095209 NP_001103471 NP_001184192
SP O42277 P79800 Q05147 Q07983 Q5EFX7
TPG DAA29418

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