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 4066

Title: Amplification of One-Bond 1H/2H Isotope Efects on 15N Chemical Shifts in Clostridium pasteurianum Rubredoxin by Fermi-Contact Effects through Hydrogen Bonds --Fe(III)

Authors: Xia, Bin; Wilkens, Steven; Westler, William; Markley, John

Citation: Xia, Bin; Wilkens, Steven; Westler, William; Markley, John. "Amplification of One-Bond 1H/2H Isotope Efects on 15N Chemical Shifts in Clostridium pasteurianum Rubredoxin by Fermi-Contact Effects through Hydrogen Bonds"  J. Am. Chem. Soc. 120, 4893-4894 (1998).

Assembly members:
rubredoxin, polymer, 54 residues, Formula weight is not available
FE, non-polymer, 55.845 Da.

Natural source:   Common Name: Clostridium pasteurianum   Taxonomy ID: 1501   Superkingdom: Bacteria   Kingdom: Monera   Genus/species: Clostridium pasteurianum

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

Entity Sequences (FASTA):
rubredoxin: MKKYTCTVCGYIYNPEDGDP DNGVNPGTDFKDIPDDWVCP LCGVGKDQFEEVEE

Data sets:
Data typeCount
15N chemical shifts8

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1RdxIII1
2Fe(III)2

Entities:

Entity 1, RdxIII 54 residues - Formula weight is not available

1   METLYSLYSTYRTHRCYSTHRVALCYSGLY
2   TYRILETYRASNPROGLUASPGLYASPPRO
3   ASPASNGLYVALASNPROGLYTHRASPPHE
4   LYSASPILEPROASPASPTRPVALCYSPRO
5   LEUCYSGLYVALGLYLYSASPGLNPHEGLU
6   GLUVALGLUGLU

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

1   FE

Samples:

sample_one: rubredoxin, [U-15N], 5 mM; H2O 100%

sample_two: rubredoxin, [U-15N], 5 mM; D2O 100%

sample_conditions_one: pH: 6.0; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
not availablenot availablenot availablesample_conditions_one

Software:

No software information available

NMR spectrometers:

  • Bruker DMX500 500 MHz

Related Database Links:

BMRB 4050 4051 4137 4182 4319 4320
PDB
GB AAA23279 AJA49845 AJA53833 ELP57804 KER11884
REF WP_003447684
SP P00268