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 30320

Title: De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary Structures

Authors: Wu, H.; Wu, Y.

Citation: Dang, B.; Wu, H.; Mulligan, V.; Mravic, M.; Wu, Y.; Lemmin, T.; Ford, A.; Silva, D.; Baker, D.; DeGrado, W.. "De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures"  Proc. Natl. Acad. Sci. U.S.A. ., .-. (2017).

Assembly members:
entity_1, polymer, 38 residues, 4058.436 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: chemical synthesis

Entity Sequences (FASTA):
entity_1: SPEERAQLLTAAEKADELGC PEERAQLLTAAEKADELG

Data sets:
Data typeCount
13C chemical shifts58
1H chemical shifts190

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 38 residues - 4058.436 Da.

1   SERPROGLUGLUARGALAGLNLEULEUTHR
2   ALAALAGLULYSALAASPGLULEUGLYCYS
3   PROGLUGLUARGALAGLNLEULEUTHRALA
4   ALAGLULYSALAASPGLULEUGLY

Samples:

sample_1: entity_1 0.7 ± 0.05 mM

sample_conditions_1: ionic strength: 50 mM; pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - processing

TALOS, Cornilescu, Delaglio and Bax - processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

  • Bruker AvanceII 900 MHz

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