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 18422

Title: Backbone dynamics of the truncated (2/2) hemoglobin from Synechococcus sp. PCC 7002 (ferrous form with heme PTM, carbonmonoxy complex)   PubMed: 23999883

Authors: Lecomte, Juliette; Pond, Matthew; Majumdar, Ananya

Citation: Wenke, Belinda; Lecomte, Juliette; Heroux, Annie; Schlessman, Jamie. "The 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 with covalently attached heme: comparison of X-ray and NMR structures."  Proteins 82, 528-534 (2014).

Assembly members:
entity_HEB, non-polymer, 618.503 Da.
GlbN, polymer, 123 residues, Formula weight is not available
entity_CMO, non-polymer, 28.010 Da.

Natural source:   Common Name: Synechococcus sp. PCC 7002   Taxonomy ID: 32049   Superkingdom: Bacteria   Kingdom: not available   Genus/species: cyanobacteria synechococcus

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

Entity Sequences (FASTA):
GlbN: ASLYEKLGGAAAVDLAVEKF YGKVLADERVNRFFVNTDMA KQKQHQKDFMTYAFGGTDRF PGRSMRAAHQDLVENAGLTD VHFDAIAENLVLTLQELNVS QDLIDEVVTIVGSVQHRNDV LNR

Data sets:
Data typeCount
13C chemical shifts348
15N chemical shifts134
1H chemical shifts497
heteronuclear NOE values90
T1 relaxation values92
T2 relaxation values94

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1GlbN2
2prosthetic group1
3ligand3

Entities:

Entity 2, GlbN 123 residues - Formula weight is not available

1   ALASERLEUTYRGLULYSLEUGLYGLYALA
2   ALAALAVALASPLEUALAVALGLULYSPHE
3   TYRGLYLYSVALLEUALAASPGLUARGVAL
4   ASNARGPHEPHEVALASNTHRASPMETALA
5   LYSGLNLYSGLNHISGLNLYSASPPHEMET
6   THRTYRALAPHEGLYGLYTHRASPARGPHE
7   PROGLYARGSERMETARGALAALAHISGLN
8   ASPLEUVALGLUASNALAGLYLEUTHRASP
9   VALHISPHEASPALAILEALAGLUASNLEU
10   VALLEUTHRLEUGLNGLULEUASNVALSER
11   GLNASPLEUILEASPGLUVALVALTHRILE
12   VALGLYSERVALGLNHISARGASNASPVAL
13   LEUASNARG

Entity 1, prosthetic group - C34 H34 Fe N4 O4 - 618.503 Da.

1   HEB

Entity 3, ligand - C O - 28.010 Da.

1   CMO

Samples:

sample_1: GlbN, [U-13C; U-15N], 0.7 mM; HEB 0.7 mM; potassium phosphate 20 mM; dithionite 7 mM; CO 0.7-1.6 mM

sample_2: GlbN, [U-15N], 1.8 mM; HEB 1.8 mM; potassium phosphate 20 mM; dithionite 18 mM; CO 1.8-2.7 mM

sample_3: GlbN, [U-15N], 1 mM; HEB 1 mM; potassium phosphate 20 mM; dithionite 10 mM; CO 1-1.8 mM

sample_4: GlbN 0.9 mM; HEB 0.9 mM; potassium phosphate 100 mM; dithionite 14 mM; CO 0.9-1.8 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.3; pressure: 1 atm; temperature: 298 K

sample_conditions_3: ionic strength: 0.3 M; pH*: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_4isotropicsample_conditions_3
2D 1H-1H NOESYsample_4isotropicsample_conditions_3
2D 1H-1H TOCSYsample_4isotropicsample_conditions_3
2D DQF-COSYsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1
2D 1H-15N NOEsample_3isotropicsample_conditions_1
2D 15N R1sample_2isotropicsample_conditions_1
2D 15N R2sample_3isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

REF YP_001734867 WP_012307234 WP_030006991
BMRB 16306 16307 17947 18423 18424
PDB
GB AAL79195 ACA99611