BMRB Entry 25286

Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for Scapharca dimeric hemoglobin (HbI) in the unliganded state
Deposition date:
2014-10-15
Original release date:
2019-07-11
Authors:
Laine, Jennifer; Massi, Francesca
Citation:

Citation: Laine, Jennifer; Amat, Miguel; Morgan, Brittany; Royer, William; Massi, Francesca. "Insight into the allosteric mechanism of Scapharca dimeric hemoglobin."  Biochemistry 53, 7199-7210 (2014).
PubMed: 25356908

Assembly members:

Assembly members:
Scapharca_dimeric_hemoglobin_(HbI), polymer, 146 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: ark clam   Taxonomy ID: 6561   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: SCAPHARCA INAEQUIVALVIS

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pCS26

Data sets:
Data typeCount
13C chemical shifts383
15N chemical shifts138
1H chemical shifts138

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HbI, chain 11
2HbI, chain 21
3Heme2

Entities:

Entity 1, HbI, chain 1 146 residues - Formula weight is not available

1   PROSERVALTYRASPALAALAALAGLNLEU
2   THRALAASPVALLYSLYSASPLEUARGASP
3   SERTRPLYSVALILEGLYSERASPLYSLYS
4   GLYASNGLYVALALALEUMETTHRTHRLEU
5   PHEALAASPASNGLNGLUTHRILEGLYTYR
6   PHELYSARGLEUGLYASPVALSERGLNGLY
7   METALAASNASPLYSLEUARGGLYHISSER
8   ILETHRLEUMETTYRALALEUGLNASNPHE
9   ILEASPGLNLEUASPASNPROASPASPLEU
10   VALCYSVALVALGLULYSPHEALAVALASN
11   HISILETHRARGLYSILESERALAALAGLU
12   PHEGLYLYSILEASNGLYPROILELYSLYS
13   VALLEUALASERLYSASNPHEGLYASPLYS
14   TYRALAASNALATRPALALYSLEUVALALA
15   VALVALGLNALAALALEU

Entity 2, Heme - 616.487 Da.

1   HEM

Samples:

sample_1: HbI, [U-13C; U-15N; U-2H], 0.4 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.15 M; pH: 7; pressure: ambient atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB

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