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 6967

Title: 1H and 15N assignment of cytochrome c552 from Thermus thermophilus in the oxidized state   PubMed: 16554303

Deposition date: 2006-02-02 Original release date: 2006-04-27

Authors: Muresanu, Lucia; Pristovsek, Primoz; Loehr, Frank; Maneg, Oliver; Mukrasch, Marco; Rueterjans, Heinz; Ludwig, Bernd; Luecke, Christian

Citation: Muresanu, Lucia; Pristovsek, Primoz; Loehr, Frank; Maneg, Oliver; Mukrasch, Marco; Rueterjans, Heinz; Ludwig, Bernd; Luecke, Christian. "The electron transfer complex between cytochrome c552 and the CuA domain of the Thermus thermophilus ba3 oxidase - a combined NMR and computational approach"  J. Biol. Chem. 281, 14503-14513 (2006).

Assembly members:
cytochrome c552, polymer, 133 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.

Natural source:   Common Name: Thermus thermophilus   Taxonomy ID: 274   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermus thermophilus

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
cytochrome c552: MAQADGAKIYAQCAGCHQQN GQGIPGAFPPLAGHVAEILA KEGGREYLILVLLYGLQGQI EVKGMKYNGVMSSFAQLKDE EIAAVLNHIATAWGDAKKVK GFKPFTAEEVKKLRAKKLTP QQVLTERKKLGLK

Data sets:
Data typeCount
15N chemical shifts144
1H chemical shifts969

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cyt c5521
2heme c2

Entities:

Entity 1, cyt c552 133 residues - Formula weight is not available

The first 2 residues (Met1 and Ala2) are recombinant artifacts.

1   METALAGLNALAASPGLYALALYSILETYR
2   ALAGLNCYSALAGLYCYSHISGLNGLNASN
3   GLYGLNGLYILEPROGLYALAPHEPROPRO
4   LEUALAGLYHISVALALAGLUILELEUALA
5   LYSGLUGLYGLYARGGLUTYRLEUILELEU
6   VALLEULEUTYRGLYLEUGLNGLYGLNILE
7   GLUVALLYSGLYMETLYSTYRASNGLYVAL
8   METSERSERPHEALAGLNLEULYSASPGLU
9   GLUILEALAALAVALLEUASNHISILEALA
10   THRALATRPGLYASPALALYSLYSVALLYS
11   GLYPHELYSPROPHETHRALAGLUGLUVAL
12   LYSLYSLEUARGALALYSLYSLEUTHRPRO
13   GLNGLNVALLEUTHRGLUARGLYSLYSLEU
14   GLYLEULYS

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

1   HEM

Samples:

sample_1: cytochrome c552 2 mM; potassium phosphate 20 mM; potassium hexacyanoferrate (III) 5 mM

sample_2: cytochrome c552, [U-98% 15N], 2 mM; potassium phosphate 20 mM; potassium hexacyanoferrate (III) 5 mM

conditions_1: pH: 6.0; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-1H_TOCSYnot availablenot availableconditions_1
1H-1H_NOESYnot availablenot availableconditions_1
15N-1H_TROSYnot availablenot availableconditions_1
15N-1H_TOCSY-TROSYnot availablenot availableconditions_1
15N-1H_NOESY-TROSYnot availablenot availableconditions_1

Software:

xwinnmr v3.5, Bruker - data collection and processing

AURELIA v2.5.9, Bruker - data analysis

NMR spectrometers:

  • Bruker DMX 600 MHz

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