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 27556

Title: NMR chemical shifts of horse heart cytochrome c bound to 1:1 (molar) TOCL/DOPC vesicles.   PubMed: 30879887

Deposition date: 2018-07-24 Original release date: 2019-03-07

Authors: Li, Mingyue; Mandal, Abhishek; Tyurin, Vladimir; DeLucia, Maria; Ahn, Jinwoo; Kagan, Valerian; van der Wel, Patrick

Citation: Li, Mingyue; Mandal, Abhishek; Tyurin, Vladimir; DeLucia, Maria; Ahn, Jinwoo; Kagan, Valerian; van der Wel, Patrick. "Surface-Binding to Cardiolipin Nanodomains Triggers Cytochrome c Pro-apoptotic Peroxidase Activity via Localized Dynamics."  Structure 27, 806-815 (2019).

Assembly members:
horse_heart_cytochrome_c, polymer, 104 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
horse_heart_cytochrome_c: GDVEKGKKIFVQKCAQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGFTYTDANKNKGITWK EETLMEYLENPKKYIPGTKM IFAGIKKKTEREDLIAYLKK ATNE

Data sets:
Data typeCount
13C chemical shifts152
15N chemical shifts50

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1protein1
2ligand2

Entities:

Entity 1, protein 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   ARGGLUASPLEUILEALATYRLEULYSLYS
11   ALATHRASNGLU

Entity 2, ligand - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

ssNMR_sample: horse heart cytochrome c, [U-99% 13C; U-99% 15N], 30 uL

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 252 K

Experiments:

NameSampleSample stateSample conditions
2D DARRssNMR_sampleisotropicsample_conditions_1
2D NCAssNMR_sampleisotropicsample_conditions_1
3D NCACXssNMR_sampleisotropicsample_conditions_1
3D NCOCXssNMR_sampleisotropicsample_conditions_1

Software:

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

NMR spectrometers:

  • Bruker Avance 750 MHz

Related Database Links:

UNP P00004