BMRB Entry 27481

Title:
Partial 1H, 13C, and 15N assignments of DFsc
Deposition date:
2018-05-15
Original release date:
2019-10-22
Authors:
Volkov, Alexander; Makhlynets, Olga
Citation:

Citation: Yoon, Jennifer; Kulesha, Alona; Lengyel-Zhand, Zsofia; Volkov, Alexander; Rempillo, Joel; D'Souza, Areetha; Costeas, Christos; Chester, Cara; Caselle, Elizabeth; Makhlynets, Olga. "Uno Ferro, a de novo designed protein, binds transition metals with high affinity and stabilizes semiquinone radical anion"  Chemistry 25, 15252-15256 (2019).
PubMed: 31509280

Assembly members:

Assembly members:
DFsc, polymer, 115 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMCSG49

Data sets:
Data typeCount
13C chemical shifts414
15N chemical shifts124
1H chemical shifts658

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DFsc1

Entities:

Entity 1, DFsc 115 residues - Formula weight is not available

1   ASNASPGLULEUARGGLULEULEULYSALA
2   GLUGLNGLNALAILELYSILETYRLYSGLU
3   VALLEULYSLYSALALYSGLUGLYASPGLU
4   GLNGLULEUALAARGLEUILEGLNGLUILE
5   VALLYSALAGLULYSGLNALAVALLYSVAL
6   TYRLYSGLUALAALAGLULYSALAARGASN
7   PROGLULYSARGGLNVALILEASPLYSILE
8   LEUGLUASPGLUGLULYSHISILEGLUTRP
9   LEULYSALAALASERLYSGLNGLYASNALA
10   GLUGLNPHEALASERLEUVALGLNGLNILE
11   LEUGLNASPGLUGLNARGHISVALGLUGLU
12   ILEGLULYSLYSASN

Samples:

sample_1: DFsc, [U-99% 13C; U-99% 15N], 0.8 mM; MES 25 mM; NaCl 100 mM; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.0; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

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