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 6671

Title: 15N hyperfine shifts assignment for rubredoxin (V44A) from Clostridium pasteurianum in the oxidized state

Deposition date: 2005-06-08 Original release date: 2015-08-06

Authors: Lin, I-Jin; Gebel, Erika; Machonkin, Timothy; Westler, William; Markley, John

Citation: Lin, I-Jin; Gebel, Erika; Machonkin, Timothy; Westler, William; Markley, John. "Changes in hydrogen-bond strengths explain reduction potentials in 10 rubredoxin variants."  Proc. Natl. Acad. Sci. U. S. A. 11, 14581-14586 (2005).

Assembly members:
rubredoxin, polymer, 53 residues, Formula weight is not available
FE, non-polymer, 55.845 Da.

Natural source:   Common Name: Clostridium pasteurianum   Taxonomy ID: 1501   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Clostridium pasteurianum

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
rubredoxin: MKKYTCTVCGYYNPEDGDPD NGVNPGTDFKDIPDDWVCCP LCGAKDQFEEVEE

Data sets:
Data typeCount
15N chemical shifts12

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1rubredoxin (V44A)1
2FE (III) ION2

Entities:

Entity 1, rubredoxin (V44A) 53 residues - Formula weight is not available

1   METLYSLYSTYRTHRCYSTHRVALCYSGLY
2   TYRTYRASNPROGLUASPGLYASPPROASP
3   ASNGLYVALASNPROGLYTHRASPPHELYS
4   ASPILEPROASPASPTRPVALCYSCYSPRO
5   LEUCYSGLYALALYSASPGLNPHEGLUGLU
6   VALGLUGLU

Entity 2, FE (III) ION - Fe - 55.845 Da.

1   FE

Samples:

oxidized_rubredoxin_(V44A): rubredoxin, [U-15N], 4 – 8 mM; phospate buffer 50 mM

50mM_phospate_buffer_pH6: pH: 6; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
1D 15Noxidized_rubredoxin_(V44A)isotropic50mM_phospate_buffer_pH6

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 500 MHz