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 4801

Title: Chemical shifts of 1H resonances of the heme protons and of the side chain protons of the two axial ligands, His69 and Met106, of the isolated c domain of Paracoccus pantotrophus in the oxidized state

Authors: Steensma, Elles; Gordon, Euan; Oster, Linda; Ferguson, Stuart; Hajdu, Janos

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:
isolated oxidized c domain monomer, polymer, 133 residues, 14855 Da.
HEME C, non-polymer, 618.503 Da.

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

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

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

Data sets:
Data typeCount
1H chemical shifts32
T1 relaxation values8

Additional metadata:

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

Assembly:

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

Entities:

Entity 1, isolated oxidized 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, oxidized heme - C34 H34 Fe N4 O4 - 618.503 Da.

1   HEC

Samples:

sample_1: isolated oxidized c domain monomer1 – 2 mM; sodium phosphate 50 mM; sodium chloride 100 mM; ferricyanide mM

Cond_1: pH*: 6.7; temperature: 278 K

Cond_2: pH*: 6.7; temperature: 295 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
1H-1H DEFT-NOESYnot availablenot availablenot available
1H-1H DEFT-TOCSYnot 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 4800