BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 5260

Title: Pseudocontact chemical shifts for [Fe(II)/Fe(II)]Dx   PubMed: 12237467

Deposition date: 2002-01-17 Original release date: 2003-01-14

Authors: Goodfellow, Brian

Citation: Goodfellow, Brian; Nunes, Sofia; Rusnak, Frank; Moura, Isabel; Ascenso, Carla; Moura, Jose; Volkman, Brian; Markley, John. "Zinc substituted Desulfovibrio gigas desulforedoxin: resolving subunit degeneracy with non-symmetric pseudocontact shifts "  Protein Sci. 11, 2464-2470 (2002).

Assembly members:
desulforedoxin, polymer, 36 residues, 4000 Da.
FE2, non-polymer, 55.845 Da.

Natural source:   Common Name: Desulfovibrio gigas   Taxonomy ID: 879   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Desulfovibrio gigas

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
desulforedoxin: ANEGDVYKCELCGQVVKVLE EGGGTLVCCGEDMVKQ

Data sets:
Data typeCount
1H chemical shifts32
13C chemical shifts14
15N chemical shifts17

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1desulforedoxin, chain A1
2desulforedoxin, chain B1
3iron ion, 12
4iron ion, 22

Entities:

Entity 1, desulforedoxin, chain A 36 residues - 4000 Da.

1   ALAASNGLUGLYASPVALTYRLYSCYSGLU
2   LEUCYSGLYGLNVALVALLYSVALLEUGLU
3   GLUGLYGLYGLYTHRLEUVALCYSCYSGLY
4   GLUASPMETVALLYSGLN

Entity 2, iron ion, 1 - Fe - 55.845 Da.

1   FE2

Samples:

sample_1: desulforedoxin 2.0 mM; IRON (II) ION 2.0 mM

sample_cond: pH: 7.2; temperature: 303.0 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCsample_1not availablesample_cond
1H-15N TOCSYsample_1not availablesample_cond
1H-15N NOESYsample_1not availablesample_cond
1H-13C HSQCsample_1not availablesample_cond
HNCAsample_1not availablesample_cond

Software:

NMRPipe - data processing

Sparky v3.100 - peak assignment

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker DMX 750 MHz

Related Database Links:

GenBank AAA23365
SWISS-PROT P00273
PDB
BMRB 5249 5271

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