BMRB Entry 5271

Title:
Pseudocontact chemical shifts for [Fe(II)/Zn(II)]Dx
Deposition date:
2002-02-01
Original release date:
2003-01-14
Authors:
Goodfellow, Brian
Citation:

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).
PubMed: 12237467

Assembly members:

Assembly members:
desulforedoxin, polymer, 36 residues, 4000 Da.
ZN, non-polymer, 65.409 Da.
FE2, non-polymer, 55.845 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
desulforedoxin: ANEGDVYKCELCGQVVKVLE EGGGTLVCCGEDMVKQ

Data sets:
Data typeCount
1H chemical shifts101
13C chemical shifts48
15N chemical shifts50

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1desulforedoxin, chain A1
2desulforedoxin, chain B1
3iron ion, 13
4zinc ion, 12

Entities:

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

1   ALAASNGLUGLYASPVALTYRLYSCYSGLU
2   LEUCYSGLYGLNVALVALLYSVALLEUGLU
3   GLUGLYGLYGLYTHRLEUVALCYSCYSGLY
4   GLUASPMETVALLYSGLN

Entity 3, iron ion, 1 - Fe - 55.845 Da.

1   FE2

Entity 2, zinc ion, 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: desulforedoxin 2.0 mM; ZINC (II) ION 1.0 mM; IRON (II) ION 1.0 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 5260

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