BMRB Entry 36071

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR36071
MolProbity Validation Chart

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Title:
NMR solution structure of the aromatic mutant H43F H67F cytochrome b5
Deposition date:
2017-04-04
Original release date:
2018-02-12
Authors:
Swati, B.; Siddhartha, P.
Citation:

Citation: Balakrishnan, Swati; Sarma, Siddhartha. "Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins"  Biochemistry 56, 4346-4359 (2017).
PubMed: 28738155

Assembly members:

Assembly members:
Cytochrome b5, polymer, 98 residues, 11275.436 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts302
15N chemical shifts84
1H chemical shifts497

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 98 residues - 11275.436 Da.

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

Samples:

sample_1: FFcytb5, [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: FFcytb5, [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_3: FFcytb5, [U-13C; U-15N; U-2H], 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: 50 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 HNCOsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment, peak picking

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

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

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