BMRB Entry 4800

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4800

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Title:
Chemical shifts of 1H resonances of the heme protons and of the side chain protons of the two axial ligands, His69 and Met106, and of Trp109 of the isolated c domain of Paracoccus pantotrophus in the reduced state
Deposition date:
2000-08-04
Original release date:
2001-03-12
Authors:
Steensma, Elles; Gordon, Euan; Oster, Linda; Ferguson, Stuart; Hajdu, Janos
Citation:

Citation: Steensma, Elles; Gordon, Euan; Oster, Linda; Ferguson, Stuart; Hajdu, Janos. "Heme Ligation and Conformational Plasticity in the Isolated c Domain of Cytochrome cd1 Nitrite Reductase"  J. Biol. Chem. 276, 5846-5855 (2001).

Assembly members:

Assembly members:
isolated reduced c domain, polymer, 133 residues, 14855 Da.
HEME C, non-polymer, 618.503 Da.

Natural source:

Natural source:   Common Name: Paracoccus pantotrophus   Taxonomy ID: 82367   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Paracoccus pantotrophus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
isolated reduced c domain: QEQVAPPKDPAAALEDHKTR TDNRYEPSLDNLAQQDVAAP GAPEGVSALSDAQYNEANKI YFERCAGCHGVLRKGATGKA LTPDLTRDLGFDYLQSFITY GSPAGMPNWGTSGELSAEQV DLMANYLLLDPAA

Data sets:
Data typeCount
1H chemical shifts55

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1isolated reduced c domain monomer1
2reduced heme2

Entities:

Entity 1, isolated reduced c domain monomer 133 residues - 14855 Da.

1   GLNGLUGLNVALALAPROPROLYSASPPRO
2   ALAALAALALEUGLUASPHISLYSTHRARG
3   THRASPASNARGTYRGLUPROSERLEUASP
4   ASNLEUALAGLNGLNASPVALALAALAPRO
5   GLYALAPROGLUGLYVALSERALALEUSER
6   ASPALAGLNTYRASNGLUALAASNLYSILE
7   TYRPHEGLUARGCYSALAGLYCYSHISGLY
8   VALLEUARGLYSGLYALATHRGLYLYSALA
9   LEUTHRPROASPLEUTHRARGASPLEUGLY
10   PHEASPTYRLEUGLNSERPHEILETHRTYR
11   GLYSERPROALAGLYMETPROASNTRPGLY
12   THRSERGLYGLULEUSERALAGLUGLNVAL
13   ASPLEUMETALAASNTYRLEULEULEUASP
14   PROALAALA

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

1   HEC

Samples:

sample_1: isolated reduced c domain1 – 2 mM; sodium phosphate 50 mM; sodium chloride 100 mM; sodium ascorbate mM

Cond_1: pH*: 6.7; temperature: 278 K

Cond_2: pH*: 6.7; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
1H-1H NOESYnot availablenot availablenot available
1H-1H cl-TOCSYnot availablenot availablenot available
1H-1H DQF-COSYnot availablenot availablenot available
1D NOESYnot availablenot availablenot available

Software:

XEASY -

NMR spectrometers:

  • Bruker DMX 500.13 MHz
  • Bruker DMX 500.03 MHz

Related Database Links:

SWISS-PROT P72181
GenBank AAB17878
EMBL CAC03621
PDB
BMRB 4801