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 36070

Title: NMR solution structure of the aromatic mutant H43W H67F cytochrome b5   PubMed: 28738155

Deposition date: 2017-03-31 Original release date: 2018-02-12

Authors: Swati, B.; Siddhartha, P.

Citation: Balakrishnan, Swati; Sarma, Siddhartha. "Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins"  Biochemistry 56, 4346-4359 (2017).

Assembly members:
Cytochrome b5, polymer, 98 residues, 11314.472 Da.

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
Cytochrome b5: AEQSDKDVKYYTLEEIQKHK DSKSTWVILHHKVYDLTKFL EEWPGGEEVLREQAGGDATE NFEDVGFSTDARELSKKYII GELHPDDRSKIAKPSETL

Data sets:
Data typeCount
13C chemical shifts196
15N chemical shifts83
1H chemical shifts636

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 98 residues - 11314.472 Da.

1   ALAGLUGLNSERASPLYSASPVALLYSTYR
2   TYRTHRLEUGLUGLUILEGLNLYSHISLYS
3   ASPSERLYSSERTHRTRPVALILELEUHIS
4   HISLYSVALTYRASPLEUTHRLYSPHELEU
5   GLUGLUTRPPROGLYGLYGLUGLUVALLEU
6   ARGGLUGLNALAGLYGLYASPALATHRGLU
7   ASNPHEGLUASPVALGLYPHESERTHRASP
8   ALAARGGLULEUSERLYSLYSTYRILEILE
9   GLYGLULEUHISPROASPASPARGSERLYS
10   ILEALALYSPROSERGLUTHRLEU

Samples:

sample_1: WF cytochrome b5, [U-99% 15N], 0.5 mM; H2O 90%; D2O, [U-2H], 10%; potassium phosphate 20 mM; sodium chloride 20 mM; Proline+Arginine+Glutamate 20 mM

sample_2: WF cytochrome b5, [U-13C; U-15N], 0.5 mM; H2O 90%; D2O, [U-2H], 10%; potassium phosphate 20 mM; sodium chloride 20 mM; Proline+Arginine+Glutamate 20 mM

sample_conditions_1: ionic strength: 60 mM; pH: 7 .; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D NOESY-HSQCsample_1isotropicsample_conditions_1
2D NOEsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNMR, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian Uniform NMR System 600 MHz
  • Bruker Avance 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts