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 7401

Title: Full-sequence computational design and solution structure of a thermostable protein variant   PubMed: 17628593

Authors: Shah, P.; Hom, G.; Ross, S.; Lassila, J.; Crowhurst, K.; Mayo, S.

Citation: Shah, P.; Hom, G.; Ross, S.; Lassila, J.; Crowhurst, K.; Mayo, S.. "Full-sequence Computational Design and Solution Structure of a Thermostable Protein Variant"  J. Mol. Biol. 372, 1-6 (2007).

Assembly members:
designed_engrailed_homeodomain_variant_UVF, polymer, 52 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
designed_engrailed_homeodomain_variant_UVF: MKQWSENVEEKLKEFVKRHQ RITQEELHQYAQRLGLNEEA IRQFFEEFEQRK

Data sets:
Data typeCount
13C chemical shifts512
15N chemical shifts132
1H chemical shifts745

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1designed engrailed homeodomain variant UVF1

Entities:

Entity 1, designed engrailed homeodomain variant UVF 52 residues - Formula weight is not available

1   METLYSGLNTRPSERGLUASNVALGLUGLU
2   LYSLEULYSGLUPHEVALLYSARGHISGLN
3   ARGILETHRGLNGLUGLULEUHISGLNTYR
4   ALAGLNARGLEUGLYLEUASNGLUGLUALA
5   ILEARGGLNPHEPHEGLUGLUPHEGLUGLN
6   ARGLYS

Samples:

sample_1: designed engrailed homeodomain variant UVF, [U-13C; U-15N], 1.0 mM; sodium phosphate 50 mM; H2O 95%; D2O 5%

sample_2: designed engrailed homeodomain variant UVF, [U-15N], 1.0 mM; sodium phosphate 50 mM; H2O 95%; D2O 5%

sample_3: designed engrailed homeodomain variant UVF, [U-13C; U-15N], 1.0 mM; sodium phosphate 50 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
aliphatic 3D_13C-separated_NOESYsample_1isotropicsample_conditions_1
aromatic 3D_13C-separated_NOESYsample_1isotropicsample_conditions_1
3D_15N-separated_NOESYsample_1isotropicsample_conditions_1

Software:

VNMR v6.1C, varian - collection

NMRPipe, Delaglio, F. et al. - processing

NMRView v4.0, Johnson, B.A. et al. - data analysis

ARIA v1.2, Nilges, M. et al. - refinement, structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

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