BMRB Entry 30223

Title:
Solution NMR-derived model of the minor species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1)
Deposition date:
2016-12-22
Original release date:
2017-08-16
Authors:
Damry, A.; Davey, J.; Goto, N.; Chica, R.
Citation:

Citation: Davey, J.; Damry, A.; Goto, N.; Chica, R.. "Rational design of proteins that exchange on functional timescales."  Nat. Chem. Biol. 13, 1280-1285 (2017).
PubMed: 29058725

Assembly members:

Assembly members:
entity_1, polymer, 56 residues, 6233.827 Da.

Natural source:

Natural source:   Common Name: Streptococcus sp. GX7805   Taxonomy ID: 1325   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus Streptococcus sp. GX7805

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pJ414

Entity Sequences (FASTA):

Data typeCount
13C chemical shifts230
15N chemical shifts61
1H chemical shifts329

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 56 residues - 6233.827 Da.

1   METTHRPHELYSALAILEILEASNGLYLYS
2   THRLEULYSGLYGLUTHRTHRTHRGLUALA
3   VALASPALAALATHRALAGLULYSVALPHE
4   LYSGLNTYRPHEASNASPASNGLYLEUASP
5   GLYGLUTRPTHRTYRASPASPALATHRLYS
6   THRPHETHRVALTHRGLU

Samples:

sample_1: EDTA 100 uM; protein (GB1), [U-98% 15N], 200 uM; sodium azide 0.02%; sodium phosphate 10 mM

sample_2: EDTA 100 uM; protein (GB1), [U-99% 13C; U-98% 15N], 200 uM; sodium azide 0.02%; sodium phosphate 10 mM

sample_3: EDTA 100 uM; protein (GB1), [U-99% 13C; U-98% 15N], 200 uM; sodium azide 0.02%; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D CBCA(CO)NHsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

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

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

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz

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