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 6836

Title: Solution Structure of HndAc : A Thioredoxin-like Domain Involved in the NADP-reducing Hydrogenase Complex.   PubMed: 16731971

Deposition date: 2005-09-26 Original release date: 2006-06-28

Authors: Nouailler, Matthieu; Morelli, Xavier; Bornet, Olivier; Chetrit, Bernard; Dermoun, Zorrah; Guerlesquin, Francoise

Citation: Nouailler, Matthieu; Morelli, Xavier; Bornet, Olivier; Chetrit, Bernard; Dermoun, Zorrah; Guerlesquin, Francoise. "Solution structure of HndAc: A thioredoxin-like domain involved in the NADP-reducing hydrogenase complex"  Protein Sci. 15, 1369-1378 (2006).

Assembly members:
HndAc, polymer, 85 residues, Formula weight is not available
FES, non-polymer, 175.820 Da.

Natural source:   Common Name: Desulfovibrio fructosovorans   Taxonomy ID: 878   Superkingdom: Eubacteria   Kingdom: Not applicable   Genus/species: Desulfovibrio fructosovorans

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
HndAc: MVPKGKYPISVCMGTACFVK GADKVVHAFKEQLKIDIGDV TPDGRFSIDTLRCVGGCALA PIVMVGEKVYGNVTPGQVKK ILAEY

Data sets:
Data typeCount
13C chemical shifts130
15N chemical shifts64
1H chemical shifts336

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HndAc domain1
2cluster [2Fe-2S]2

Entities:

Entity 1, HndAc domain 85 residues - Formula weight is not available

1   METVALPROLYSGLYLYSTYRPROILESER
2   VALCYSMETGLYTHRALACYSPHEVALLYS
3   GLYALAASPLYSVALVALHISALAPHELYS
4   GLUGLNLEULYSILEASPILEGLYASPVAL
5   THRPROASPGLYARGPHESERILEASPTHR
6   LEUARGCYSVALGLYGLYCYSALALEUALA
7   PROILEVALMETVALGLYGLULYSVALTYR
8   GLYASNVALTHRPROGLYGLNVALLYSLYS
9   ILELEUALAGLUTYR

Entity 2, cluster [2Fe-2S] - Fe2 S2 - 175.820 Da.

1   FES

Samples:

sample_1: HndAc 1 mM; cluster [2Fe-2S] 4 mM

sample_2: HndAc, [U-13C; U-15N], 0.15 mM; cluster [2Fe-2S] 0.60 mM

conditions_1: pH: 5.9; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D_TOCSYnot availablenot availableconditions_1
2D_NOESYsample_1not availableconditions_1
2D_COSYnot availablenot availableconditions_1
2D_TOCSY-HSQCnot availablenot availableconditions_1
2D_NOESY-HSQCnot availablenot availableconditions_1
3D_TOCSY-HSQCnot availablenot availableconditions_1
3D_NOESY-HSQCnot availablenot availableconditions_1
15N_HSQCnot availablenot availableconditions_1
13C_HSQCnot availablenot availableconditions_1
3D_HNCAnot availablenot availableconditions_1
3D_HNHAnot availablenot availableconditions_1
3D_CBCACONHnot availablenot availableconditions_1
3D_HCCH_TOCSYnot availablenot availableconditions_1
3D_HNCOnot availablenot availableconditions_1
3D_HNCACOnot availablenot availableconditions_1

Software:

Xwin-nmr v3.1, BRUKER - aquisition and processing

FELIX v2002, accelrys -

NMR spectrometers:

  • BRUKER AVANCE DRX 500 MHz
  • VARIAN INOVA 800 MHz

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