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 16408

Title: Cu(I)-bound CopK   PubMed: 20192263

Deposition date: 2009-07-15 Original release date: 2010-03-12

Authors: Bersch, Beate

Citation: Sarret, Geraldine; Favier, Adrien; Coves, Jacques; Hazemann, Jean-Louis; Mergeay, Max; Bersch, Beate. "CopK from Cupriavidus metallidurans CH34 binds Cu(I) in a tetrathioether site: characterization by X-ray absorption and NMR spectroscopy."  J. Am. Chem. Soc. 132, 3770-3777 (2010).

Assembly members:
periplasmic CopK protein, polymer, 74 residues, 8294.617 Da.
CU1, non-polymer, 63.546 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: Cupriavidus metallidurans

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

Entity Sequences (FASTA):
periplasmic CopK protein: VDMSNVVKTYDLQDGSKVHV FKDGKMGMENKFGKSMNMPE GKVMETRDGTKIIMKGNEIF RLDEALRKGHSEGG

Data sets:
Data typeCount
13C chemical shifts278
15N chemical shifts73
1H chemical shifts496

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2CU12

Entities:

Entity 1, entity_1 74 residues - 8294.617 Da.

1   VALASPMETSERASNVALVALLYSTHRTYR
2   ASPLEUGLNASPGLYSERLYSVALHISVAL
3   PHELYSASPGLYLYSMETGLYMETGLUASN
4   LYSPHEGLYLYSSERMETASNMETPROGLU
5   GLYLYSVALMETGLUTHRARGASPGLYTHR
6   LYSILEILEMETLYSGLYASNGLUILEPHE
7   ARGLEUASPGLUALALEUARGLYSGLYHIS
8   SERGLUGLYGLY

Entity 2, CU1 - Cu - 63.546 Da.

1   CU1

Samples:

sample_1: periplasmic CopK protein, [U-100% 15N], 1 mM; CU1 0.95 mM; ammonium acetate 50 mM; sodium ascorbate 10 mM

sample_2: periplasmic CopK protein, [U-100% 13C; U-100% 15N], 1.6 mM; CU1 1.5 mM; ammonium acetate 50 mM; sodium ascorbate 16 mM

sample_3: periplasmic CopK protein 1.5 mM; CU1 1.4 mM; ammonium acetate 50 mM; sodium ascorbate 14 mM

sample_conditions_1: pH: 6.8; pressure: 1.0 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(COCA)CBsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment

ATHNOS-CANDID, Torsten Herrmann - peak picking, structure solution

ARIA v1.2, Linge, O, . - structure solution

NMR spectrometers:

  • Varian DirectDrive 600 MHz
  • Varian DirectDrive 800 MHz

Related Database Links:

BMRB 15655 17716
PDB
EMBL CAI11334
GB ABF12967 EKZ95342
REF WP_008652571 YP_145685
SP Q58AD3

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