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BMRB Entry 4509

Title: Automated 2D NOESY Assignment and Structure Calculation of crambin(S22/I25) with Self-Correcting Distance Geometry Based NOAH/DIAMOND Programs   PubMed: 9887292

Authors: Xu, Y.; Wu, J.; Gorenstein, D.; Braun, W.

Citation: Xu, Y.; Wu, J.; Gorenstein, D.; Braun, W.. "Automated 2D NOESY assignment and structure calculation of Crambin(S22/I25) with the self-correcting distance geometry based NOAH/DIAMOD programs"  J. Magn. Reson. 136, 76-85 (1999).

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

Natural source:   Common Name: Abyssinian crambe   Taxonomy ID: 3271   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Crambe abyssinica

Experimental source:   Production method: .

Entity Sequences (FASTA):
crambin: TTCCPSIVARSNFNVCRLPG TSEAICATYTGCIIIPGATC PGDYAN

Data sets:
Data typeCount
1H chemical shifts256

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   THRSERGLUALAILECYSALATHRTYRTHR
4   GLYCYSILEILEILEPROGLYALATHRCYS
5   PROGLYASPTYRALAASN

Samples:

sample_1: crambin 2.5 mM; acetone, [U-2H], 75%; H2O 20%; D2O 5%

sample_cond_1: pH: 6.5; temperature: 298 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_cond_1
2D TOCSYsample_1not availablesample_cond_1

Software:

NOAH v1.0 - STRUCTURE SOLUTION

DIAMOD v1.0 - STRUCTURE SOLUTION

FANTOM v4.0 - REFINEMENT

NMR spectrometers:

  • Varian VXRS 600 MHz

Related Database Links:

BMRB 1541 1542
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