BMRB Entry 4777

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4777

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Title:
Complete 1H, 15N and 13C Assignment of the Functional Domain of Paracoccus denitrificans Cytochrome c552 in the Oxidized state
Deposition date:
2000-07-05
Original release date:
2001-07-25
Authors:
Luecke, Christian; Reincke, Britta; Loehr, Frank; Pristovsek, Primoz; Ludwig, Bernd; Rueterjans, Heinz
Citation:

Citation: Luecke, Christian; Reincke, Britta; Loehr, Frank; Pristovsek, Primoz; Ludwig, Bernd; Rueterjans, Heinz. "Complete 1H, 15N and 13C Assignment of the Functional Domain of Paracoccus denitrificans Cytochrome c552 in the Oxidized state"  J. Biomol. NMR 18, 365-366 (2000).

Assembly members:

Assembly members:
Paracoccus denitrificans cytochrome c552, soluble fragment, polymer, 100 residues, 10528 Da.
HEC, non-polymer, 618.503 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 266   Superkingdom: Eubacteria   Kingdom: Proteobacteria   Genus/species: Paracoccus denitrificans

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Paracoccus denitrificans cytochrome c552, soluble fragment: MADPAAGEKVFGKCKACHKL DGNDGVGPHLNGVVGRTVAG VDGFNYSDPMKAHGGDWTPE ALQEFLTNPKAVVKGTKMAF AGLPKIEDRANLIAYLEGQQ

Data sets:
Data typeCount
1H chemical shifts704
13C chemical shifts422
15N chemical shifts107

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1cyt c5521
2HEC_ox2

Entities:

Entity 1, cyt c552 100 residues - 10528 Da.

1   METALAASPPROALAALAGLYGLULYSVAL
2   PHEGLYLYSCYSLYSALACYSHISLYSLEU
3   ASPGLYASNASPGLYVALGLYPROHISLEU
4   ASNGLYVALVALGLYARGTHRVALALAGLY
5   VALASPGLYPHEASNTYRSERASPPROMET
6   LYSALAHISGLYGLYASPTRPTHRPROGLU
7   ALALEUGLNGLUPHELEUTHRASNPROLYS
8   ALAVALVALLYSGLYTHRLYSMETALAPHE
9   ALAGLYLEUPROLYSILEGLUASPARGALA
10   ASNLEUILEALATYRLEUGLUGLYGLNGLN

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

1   HEC

Samples:

sample_1: Paracoccus denitrificans cytochrome c552, soluble fragment1.5 – 4 mM; PROTOPORPHYRIN IX CONTAINING FE1.5 – 4 mM; potassium phosphate 20 mM; D2O 5%; H2O 95%

sample_2: Paracoccus denitrificans cytochrome c552, soluble fragment, [U-96% 15N], 1.5 – 4 mM; PROTOPORPHYRIN IX CONTAINING FE1.5 – 4 mM; potassium phosphate 20 mM; D2O 5%; H2O 95%

sample_3: Paracoccus denitrificans cytochrome c552, soluble fragment, [U-97% 13C; U-96% 15N], 1.5 – 4 mM; PROTOPORPHYRIN IX CONTAINING FE1.5 – 4 mM; potassium phosphate 20 mM; D2O 5%; H2O 95%

cond_set_1: pH: 5.8; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-1H TOCSYnot availablenot availablecond_set_1
1H-1H NOESYnot availablenot availablecond_set_1
1H-15N HSQCnot availablenot availablecond_set_1
1H-15N HTQCnot availablenot availablecond_set_1
1H-15N TOCSY-HSQCnot availablenot availablecond_set_1
1H-15N NOESY-HSQCnot availablenot availablecond_set_1
HNCACBnot availablenot availablecond_set_1
CC(CO)NH-TOCSYnot availablenot availablecond_set_1
(HCA)CO(CA)NHnot availablenot availablecond_set_1
HCCH-TOCSYnot availablenot availablecond_set_1
1H-13C HSQCnot availablenot availablecond_set_1
1H-13C NOESY-HSQCnot availablenot availablecond_set_1
1D NOE difference spectranot availablenot availablecond_set_1

Software:

XWIN-NMR v1.3, Bruker - data collection and processing

AURELIA v2.5.9 - data analysis

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz

Related Database Links:

BMRB 4471 5079 5080
PDB
EMBL CAA49830
GB ABL69905
REF WP_011748102 YP_915601
SP P54820
AlphaFold P54820

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