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 26973

Title: Near-complete backbone resonance assignments of acid-denatured human cytochrome c in DMSO: a prelude to studying interactions with phospholipids   PubMed: 28260216

Authors: Karsisiotis, Andreas Ioannis; Deacon, Oliver; Worrall, Jonathan

Citation: Karsisiotis, Andreas Ioannis; Deacon, Oliver; Macdonald, Colin; Blumenschein, Tharin; Moore, Geoffrey; Worrall, Jonathan. "Near-complete backbone resonance assignments of acid-denatured human cytochrome c in dimethylsulfoxide: a prelude to studying interactions with phospholipids"  Biomol. NMR Assign. ., .-. (2017).

Assembly members:
HCC, polymer, 104 residues, Formula weight is not available
entity_HEC, non-polymer, 618.503 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
HCC: GDVEKGKKIFIMKCSQCHTV EKGGKHKTGPNLHGLFGRKT GQAPGYSYTAANKNKGIIWG EDTLMEYLENPKKYIPGTKM IFVGIKKKEERADLIAYLKK ATNE

Data sets:
Data typeCount
13C chemical shifts269
15N chemical shifts87
1H chemical shifts87

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Human Cyt c1
2Heme2

Entities:

Entity 1, Human Cyt c 104 residues - Formula weight is not available

1   GLYASPVALGLULYSGLYLYSLYSILEPHE
2   ILEMETLYSCYSSERGLNCYSHISTHRVAL
3   GLULYSGLYGLYLYSHISLYSTHRGLYPRO
4   ASNLEUHISGLYLEUPHEGLYARGLYSTHR
5   GLYGLNALAPROGLYTYRSERTYRTHRALA
6   ALAASNLYSASNLYSGLYILEILETRPGLY
7   GLUASPTHRLEUMETGLUTYRLEUGLUASN
8   PROLYSLYSTYRILEPROGLYTHRLYSMET
9   ILEPHEVALGLYILELYSLYSLYSGLUGLU
10   ARGALAASPLEUILEALATYRLEULYSLYS
11   ALATHRASNGLU

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

1   HEC

Samples:

DMSO_Sample_1: HCC, [U-99% 15N], 1 mM; DMSO 100 % v/v; TFA 0.2 % v/v; sodium phosphate 20 mM

DMSO_conditions_1: ionic strength: 20 mM; pH: 2.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCDMSO_Sample_1isotropicDMSO_conditions_1
3D HNCACBDMSO_Sample_1isotropicDMSO_conditions_1
3D CBCA(CO)NHDMSO_Sample_1isotropicDMSO_conditions_1
3D HNCODMSO_Sample_1isotropicDMSO_conditions_1
3D HN(CA)CODMSO_Sample_1isotropicDMSO_conditions_1
3D HNNDMSO_Sample_1isotropicDMSO_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

CCPN_Analysis, Vraken et al. 2005 - chemical shift assignment

TOPSPIN, Bruker Biospin - collection, processing

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

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

NMR spectrometers:

  • Bruker Avance 800 MHz

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