BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30312

Title: Solution structure of the de novo mini protein gHEEE_02

Authors: Szyperski, T.; Pulavarti, S.; Shaw, E.; Bahl, C.; Garry, B.; Baker, D.

Citation: Szyperski, T.; Pulavarti, S.; Shaw, E.; Bahl, C.; Garry, B.; Baker, D.. "Solution structure of the de novo mini protein gHEEE_02"  . ., .-..

Assembly members:
De novo mini protein gHEEE_02, polymer, 41 residues, 4900.680 Da.

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

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

Entity Sequences (FASTA):
De novo mini protein gHEEE_02: SQETRKKCTEMKKKFKNCEV RCDESNHCVEVRCSDTKYTL C

Data typeCount
13C chemical shifts181
15N chemical shifts46
1H chemical shifts284

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 41 residues - 4900.680 Da.

1   SERGLNGLUTHRARGLYSLYSCYSTHRGLU
2   METLYSLYSLYSPHELYSASNCYSGLUVAL
3   ARGCYSASPGLUSERASNHISCYSVALGLU
4   VALARGCYSSERASPTHRLYSTYRTHRLEU
5   CYS

Samples:

sample_1: DSS 5 uM; d20 10%; gHEEE_02, [U-13C;15N], 1 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 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 HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 15N/13Caliphatic/13Caromatic-edited [1H,1H]-NOESYsample_1isotropicsample_conditions_1
GFT 4,3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

CARA v1.8, Keller and Wuthrich - chemical shift assignment, chemical shift calculation

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

PROSA v6.4, Guntert - processing

PSVS v1.5, Bhattacharya and Montelione - data analysis

VNMR, Varian - collection

XEASY, Bartels et al. - data analysis

NMR spectrometers:

  • Varian INOVA 750 MHz

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