BMRB Entry 6455

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6455

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Title:
1H, 13C, and 15N Chemical shift Assignments for crambin in acetone-water (3:1) mixed solvent
Deposition date:
2005-01-11
Original release date:
2006-06-26
Authors:
Ahn, Hee-Chul; Juranic, Nenad; Markley, John
Citation:

Citation: Ahn, Hee-Chul; Juranic, Nenad; Macura, Slobodan; Markley, John. "Three-dimensional structure of the water-insoluble protein crambin in dodecylphosphocholine micelles and its minimal solvent-exposed surface"  J. Am. Chem. Soc. 128, 4398-4404 (2006).
PubMed: 16569017

Assembly members:

Assembly members:
crambin, polymer, 46 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Abyssinian crambe   Taxonomy ID: 3721   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Crambe abyssinica

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
crambin: TTCCPSIVARSNFNVCRLPG TPEALCATYTGCIIIPGATC PGDYAN

Data sets:
Data typeCount
13C chemical shifts168
15N chemical shifts43
1H chemical shifts272
coupling constants19

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1crambin1

Entities:

Entity 1, crambin 46 residues - Formula weight is not available

1   THRTHRCYSCYSPROSERILEVALALAARG
2   SERASNPHEASNVALCYSARGLEUPROGLY
3   THRPROGLUALALEUCYSALATHRTYRTHR
4   GLYCYSILEILEILEPROGLYALATHRCYS
5   PROGLYASPTYRALAASN

Samples:

sample_1: crambin, [U-13C; U-15N], 0.5 mM

conditions_1: temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
HNCAsample_1not availableconditions_1
HNCACBsample_1not availableconditions_1
CBCA(CO)NHsample_1not availableconditions_1
HCCH-TOCSYsample_1not availableconditions_1
C(CO)NHsample_1not availableconditions_1
HNCOsample_1not availableconditions_1

Software:

No software information available

NMR spectrometers:

  • Varian Inova 600 MHz
  • Varian Inova 800 MHz

Related Database Links:

BMRB 6504 90
PDB
SP P01542
AlphaFold P01542

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