BMRB Entry 4974

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4974

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Title:
Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC')
Deposition date:
2001-03-19
Original release date:
2001-10-17
Authors:
Bonvin, Alexandre; Houben, Klaartje; Guenneugues, Marc; Kaptein, Robert; Boelens, Rolf
Citation:

Citation: Bonvin, Alexandre; Houben, Klaartje; Guenneugues, Marc; Kaptein, Robert; Boelens, Rolf. "Rapid Protein fold Determination using Secondary Chemical Shifts and Cross- hydrogen bond 15N-13C' Scalar Couplings (3hbJNC')"  J. Biomol. NMR 21, 221-233 (2001).
PubMed: 11775739

Assembly members:

Assembly members:
Chymotrypsin Inhibitor 2, polymer, 64 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Barley   Taxonomy ID: 4513   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Hordeum vulgare

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Chymotrypsin Inhibitor 2: LKTEWPELVGKSVEEAKKVI LQDKPEAQIIVLPVGTIVTM EYRIDRVRLFVDKLDNIAQV VRVG

Data sets:
  • assigned_chemical_shifts
Data typeCount
1H chemical shifts489
13C chemical shifts269
15N chemical shifts69

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Chymotrypsin Inhibitor II1

Entities:

Entity 1, Chymotrypsin Inhibitor II 64 residues - Formula weight is not available

1   LEULYSTHRGLUTRPPROGLULEUVALGLY
2   LYSSERVALGLUGLUALALYSLYSVALILE
3   LEUGLNASPLYSPROGLUALAGLNILEILE
4   VALLEUPROVALGLYTHRILEVALTHRMET
5   GLUTYRARGILEASPARGVALARGLEUPHE
6   VALASPLYSLEUASPASNILEALAGLNVAL
7   VALARGVALGLY

Samples:

sample_1: Chymotrypsin Inhibitor 2, [U-15N; U-13C], 2 mM

Cond_1: pH: 4.6; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker DMX 500 MHz

Related Database Links:

BMRB 1869 1870 1871 1872
PDB
EMBL CAA28988
GB ABW71682 ABW71687 ABW71691 ABW71693 ABW71694
SP P01053
AlphaFold P01053

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