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 18711

Title: TBA

Deposition date: 2012-09-12 Original release date: 2013-06-10

Authors: Mueller, R.; Kern, Thomas; Graewert, M.; Madl, T.; Peschek, J.; Groll, M.

Citation: Mueller, R.; Kern, Thomas; Graewert, M.; Madl, T.; Peschek, J.; Groll, M.. "TBA"  Not known ., .-..

Assembly members:
CH3CS, polymer, 102 residues, 11252.8084 Da.

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
CH3CS: MGDILTFTIPPSFADIFLSK SANLTCLVSNLATYETLNIS WASQSGEPLETKIKVMESHP NGTFSAKGVASVSVEDWNNR KEFVCTVTHRDLPSPQKKFI SK

Data sets:
Data typeCount
13C chemical shifts311
15N chemical shifts95
1H chemical shifts639

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CH3CS1

Entities:

Entity 1, CH3CS 102 residues - 11252.8084 Da.

1   METGLYASPILELEUTHRPHETHRILEPRO
2   PROSERPHEALAASPILEPHELEUSERLYS
3   SERALAASNLEUTHRCYSLEUVALSERASN
4   LEUALATHRTYRGLUTHRLEUASNILESER
5   TRPALASERGLNSERGLYGLUPROLEUGLU
6   THRLYSILELYSVALMETGLUSERHISPRO
7   ASNGLYTHRPHESERALALYSGLYVALALA
8   SERVALSERVALGLUASPTRPASNASNARG
9   LYSGLUPHEVALCYSTHRVALTHRHISARG
10   ASPLEUPROSERPROGLNLYSLYSPHEILE
11   SERLYS

Samples:

sample_new_1: CH3CS, [U-13C; U-15N], 0.3 mM

sample_conditions_new_1: ionic strength: 50.000 mM; pH: 6.800; pressure: 1 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
15N HSQCsample_new_1solutionsample_conditions_new_1
13C HSQCsample_new_1solutionsample_conditions_new_1
15N NOESYsample_new_1solutionsample_conditions_new_1
13C NOESY ALIPHATICSsample_new_1solutionsample_conditions_new_1
13C NOESY AROMATICSsample_new_1solutionsample_conditions_new_1

Software:

AutoDep v4.3, PDBe - chemical shift assignment

ANALYSIS v2., CCPN - data analysis

CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

CYANA vany, Guntert, Mumenthaler and Wuthrich - data analysis

NMRPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

SPARKY vany, Goddard - chemical shift assignment

ARIA, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

NMR spectrometers:

  • BRUKER AVANCE 600 MHz

Related Database Links:

PDB

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