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 15816

Title: Solution NMR Structure of Allochromatium vinosum DsrR: Northeast Structural Genomics Consortium Target OP5

Authors: Cort, John; Dahl, Christiane; Grimm, Frauke; Kennedy, Michael

Citation: Dahl, Christiane; Cort, John; Grimm, Frauke. "Solution NMR Structure of the IscA-like Protein DsrR Involved in Sulfur Oxidation in Allochromatium vinosum"  Not known ., .-..

Assembly members:
DsrR, polymer, 125 residues, 13748.496 Da.

Natural source:   Common Name: Allochromatium vinosum   Taxonomy ID: 1049   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Allochromatium vinosum

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

Entity Sequences (FASTA):
DsrR: MGSSHHHHHHSSGLVPRGSH MMFKLTPAAAEQVLKAAKQG GTEGMCLRLAAGRNPDGSID YRMGFDDLTEDDIRLTSEGV EIVIAPDYVSLLDQTTLDYV ELEPGQFHFIFLNPRDPTYR PPSGG

Data sets:
Data typeCount
13C chemical shifts431
15N chemical shifts101
1H chemical shifts686

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DsrR1

Entities:

Entity 1, DsrR 125 residues - 13748.496 Da.

sequence begins with residue -20. The first residue of the native DsrR sequence is Met 1

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METMETPHELYSLEUTHRPROALAALAALA
4   GLUGLNVALLEULYSALAALALYSGLNGLY
5   GLYTHRGLUGLYMETCYSLEUARGLEUALA
6   ALAGLYARGASNPROASPGLYSERILEASP
7   TYRARGMETGLYPHEASPASPLEUTHRGLU
8   ASPASPILEARGLEUTHRSERGLUGLYVAL
9   GLUILEVALILEALAPROASPTYRVALSER
10   LEULEUASPGLNTHRTHRLEUASPTYRVAL
11   GLULEUGLUPROGLYGLNPHEHISPHEILE
12   PHELEUASNPROARGASPPROTHRTYRARG
13   PROPROSERGLYGLY

Samples:

sample_1: DsrR, [U-10% 13C; U-100% 15N], 1 ± 0.1 mM; H2O 93%; D2O 7%; Tris HCl 50 mM; sodium chloride 500 mM; DTT 5 mM; sodium azide 0.02%

sample_2: DsrR, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; D2O 100%; Tris HCl 50 mM; sodium chloride 500 mM; DTT 5 mM; sodium azide 0.02%

sample_3: DsrR, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; H2O 93%; D2O 7%; Tris HCl 50 mM; sodium chloride 500 mM; DTT 5 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 625 mM; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
4D 1H-13C-13C-1H HMQC NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

FELIX, Accelrys Software Inc. - data analysis, processing

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

SPARKY, Goddard - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

PDB
GB AAG13087 ADC62203
REF WP_043796041