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 15408

Title: NMR-detected conformational exchange observed in a computationally designed variant of protein Gb1   PubMed: 18586670

Authors: Crowhurst, Karin; Mayo, Stephen

Citation: Crowhurst, Karin; Mayo, Stephen. "NMR-detected conformational exchange observed in a computationally designed variant of protein Gb1"  Protein Eng. Des. Sel. 21, 577-587 (2008).

Assembly members:
delta1.5, polymer, 57 residues, 6342 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   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):
delta1.5: MTTFKLIINGKTLKGETTTE AVDAATAEKVLKQYINDNGI DGEWTYDDATKTWTVTE

Data sets:
Data typeCount
13C chemical shifts241
15N chemical shifts61
1H chemical shifts371
H exchange protection factors55
T1 relaxation values54
T2 relaxation values55

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1delta1.51

Entities:

Entity 1, delta1.5 57 residues - 6342 Da.

1   METTHRTHRPHELYSLEUILEILEASNGLY
2   LYSTHRLEULYSGLYGLUTHRTHRTHRGLU
3   ALAVALASPALAALATHRALAGLULYSVAL
4   LEULYSGLNTYRILEASNASPASNGLYILE
5   ASPGLYGLUTRPTHRTYRASPASPALATHR
6   LYSTHRTRPTHRVALTHRGLU

Samples:

sample_1: delta1.5, [U-13C; U-15N], 1.5 mM; sodium phosphate 50 mM; DSS 0.2 mM; H2O 90%; D2O 10%

sample_2: delta1.5, [U-13C; U-15N], 2.2 mM; sodium phosphate 50 mM; DSS 0.2 mM; D2O 100%

sample_3: delta1.5, [U-15N], 2.6 mM; sodium phosphate 50 mM; DSS 0.2 mM; H2O 90%; D2O 10%

sample_4: delta1.5, [U-15N; U-2H], 2.6 mM; sodium phosphate 50 mM; DSS 0.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.3 M; pH: 6; pressure: 1 atm; temperature: 298.15 K

sample_conditions_2: ionic strength: 0.3 M; pH*: 6.3; pressure: 1 atm; temperature: 298.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCC-TOCSY-NNHsample_1isotropicsample_conditions_1
3D CCC-TOCSY_NNHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D CLEANEX-PMsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_conditions_1
2D nz cross-correlationsample_4isotropicsample_conditions_1
2D nxy cross-correlationsample_4isotropicsample_conditions_1

Software:

NMRDraw v1995, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRPipe v1995, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5.2.2, Johnson, One Moon Scientific - chemical shift assignment, peak picking

CurveFit v1998, Palmer III - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

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