BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27254

Title: Molten globule of L94G mutant of horse cytochrome-c   PubMed: 31686356

Deposition date: 2017-09-15 Original release date: 2019-11-08

Authors: Naiyer, Abdullah; Islam, Asimul; Hassan, Md.Imtaiyaz; Sundd, Monica; Ahmad, Faizan

Citation: Naiyer, Abdullah; Islam, Asimul; Hassan, Md.Imtaiyaz; Ahmad, Faizan; Sundd, Monica. "Backbone and side chain 1H, 15N and 13C chemical shift assignments of the molten globule state of L94G mutant of horse cytochrome-c"  Biomol. NMR Assign. ., .-. (2019).

Assembly members:
Cyt_c, polymer, 104 residues, Formula weight is not available
HEME C, non-polymer, 618.503 Da.

Natural source:   Common Name: Horse   Taxonomy ID: 9796   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Equus caballus

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

Entity Sequences (FASTA):
Cyt_c: GDVEKGKKIFVQKCAQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGFTYIDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDGIAYLKK ATNE

Data sets:
Data typeCount
13C chemical shifts453
15N chemical shifts99
1H chemical shifts705

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1horse cytochrome c1
2HEME C2

Entities:

Entity 1, horse cytochrome c 104 residues - Formula weight is not available

1   GLYASPVALGLULYSGLYLYSLYSILEPHE
2   VALGLNLYSCYSALAGLNCYSHISTHRVAL
3   GLULYSGLYGLYLYSHISLYSTHRGLYPRO
4   ASNLEUHISGLYLEUPHEGLYARGLYSTHR
5   GLYGLNALAPROGLYPHETHRTYRTHRASP
6   ALAASNLYSASNLYSGLYILETHRTRPLYS
7   GLUGLUTHRLEUMETGLUTYRLEUGLUASN
8   PROLYSLYSTYRILEPROGLYTHRLYSMET
9   ILEPHEALAGLYILELYSLYSLYSTHRGLU
10   ARGGLUASPGLYILEALATYRLEULYSLYS
11   ALATHRASNGLU

Entity 2, HEME C - C34 H34 Fe N4 O4 - 618.503 Da.

1   HEC

Samples:

sample_1: Cyt_c, [U-99% 13C; U-99% 15N], 2 mM; NaCl 0.1 M

sample_conditions_1: ionic strength: 30 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

SPARKY_CARA, Goddard, Keller and Wuthrich - chemical shift assignment, structure solution

NMR spectrometers:

  • 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