BMRB Entry 30525

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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/BMR30525
MolProbity Validation Chart

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Title:
Solution NMR Structure of Engineered Cystine Knot Protein 2.5F
Deposition date:
2018-09-29
Original release date:
2019-09-24
Authors:
Cochran, F.; Cochran, J.
Citation:

Citation: Cochran, F.; Cochran, J.. "Solution NMR Structure of Engineered Cystine Knot Protein 2.5F"  To be published ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3297.683 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCPRPRGDNPPLTCSQDSDC LAGCVCGPNGFCG

Data sets:
Data typeCount
13C chemical shifts116
15N chemical shifts30
1H chemical shifts183

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 33 residues - 3297.683 Da.

1   GLYCYSPROARGPROARGGLYASPASNPRO
2   PROLEUTHRCYSSERGLNASPSERASPCYS
3   LEUALAGLYCYSVALCYSGLYPROASNGLY
4   PHECYSGLY

Samples:

sample_1: 2.5F, [U-13C; U-15N], 400 uM

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
GHNCO_LRAsample_1isotropicsample_conditions_1

Software:

YASARA, YASARA Biosciences GmbH - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian VNMRS 800 MHz
  • Varian VNS 600 MHz

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