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
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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

Related Database Links:

BMRB 1869 1870 1871 1872
PDB 1CIQ 1CIR 1CQ4 3CI2
EMBL CAA28988
GB ABW71682 ABW71687 ABW71691 ABW71693 ABW71694
SP P01053
AlphaFold P01053

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