BMRB Entry 6427

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6427
MolProbity Validation Chart

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Title:
Solution structure of a recombinant type I sculpin antifreeze protein
Deposition date:
2004-12-10
Original release date:
2005-06-02
Authors:
Kwan, A.; Fairley, K.; Anderberg, P.; Liew, C.; Harding, M.; Mackay, J.
Citation:

Citation: Kwan, A.; Fairley, K.; Anderberg, P.; Liew, C.; Harding, M.; Mackay, J.. "Solution structure of a recombinant type I sculpin antifreeze protein."  Biochemistry 44, 1980-1988 (2005).
PubMed: 15697223

Assembly members:

Assembly members:
SS3, polymer, 35 residues, 3083.5 Da.

Natural source:

Natural source:   Common Name: Shorthorn sculpin   Taxonomy ID: 8097   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Myoxocephalus scorpius

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SS3: GSMNAPARAAAKTAADALAA AKKTAADAAAAAAAA

Data sets:
Data typeCount
13C chemical shifts204
15N chemical shifts66
1H chemical shifts390
residual dipolar couplings18

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1rSS31

Entities:

Entity 1, rSS3 35 residues - 3083.5 Da.

1   GLYSERMETASNALAPROALAARGALAALA
2   ALALYSTHRALAALAASPALALEUALAALA
3   ALALYSLYSTHRALAALAASPALAALAALA
4   ALAALAALAALAALA

Samples:

sample_1: SS30.8 – 1.2 mM; H2O 95%; D2O 5%

sample_2: SS3, [U-15N; U-13C], 0.8 – 1.2 mM; H2O 95%; D2O 5%

sample_3: SS3, [U-15N], 0.1 – 0.3 mM

sample_cond_1: ionic strength: . mM; pH: 5.0; pressure: 1 atm; temperature: 268 K

sample_cond_2: ionic strength: . mM; pH: 5.0; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D TOCSYnot availablenot availablenot available
2D NOESYnot availablenot availablenot available
DQF-COSYnot availablenot availablenot available
HNHAnot availablenot availablenot available
HNCAnot availablenot availablenot available
HNCACBnot availablenot availablenot available
CBCA(CO)NHnot availablenot availablenot available
HNCOnot availablenot availablenot available
HNCA-ECOSYnot availablenot availablenot available
HET-NOEnot availablenot availablenot available
15N-HSQCnot availablenot availablenot available
13C-HSQCnot availablenot availablenot available

Software:

xwinnmr v2.5 - processing

XEASY v1.3.13 - data analysis

SPARKY v3 - data analysis

ARIA v1.2 - structure solution, refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

PDB

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