BMRB Entry 26886

Title:
Backbone chemical shift assignments of ferrous THB1
Deposition date:
2016-09-03
Original release date:
2016-10-04
Authors:
Lecomte, Juliette; Preimesberger, Matthew
Citation:

Citation: Preimesberger, Matthew; Majumdar, Ananya; Lecomte, Juliette. "Dynamics of Lysine as a Heme Axial Ligand: NMR Analysis of the Chlamydomonas reinhardtii Hemoglobin THB1"  Biochemistry 56, 551-569 (2017).
PubMed: 28032976

Assembly members:

Assembly members:
THB1, polymer, 135 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: green algae   Taxonomy ID: 3055   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Chlamydomonas reinhardtii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pJExpress414

Data sets:
Data typeCount
13C chemical shifts389
15N chemical shifts129
1H chemical shifts129

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1polypeptide1
2Heme2

Entities:

Entity 1, polypeptide 135 residues - Formula weight is not available

1   ALAALAASPTHRALAPROALAASPSERLEU
2   TYRSERARGMETGLYGLYGLUALAALAVAL
3   GLULYSALAVALASPVALPHETYRGLUARG
4   ILEVALALAASPPROGLNLEUALAPROPHE
5   PHEALAASNVALASPMETLYSLYSGLNARG
6   ARGLYSGLNVALALAPHEMETTHRTYRVAL
7   PHEGLYGLYSERGLYALATYRGLUGLYARG
8   ASPLEUGLYALASERHISARGARGLEUILE
9   ARGGLUGLNGLYMETASNHISHISHISPHE
10   ASPLEUVALALAALAHISLEUASPSERTHR
11   LEUGLNGLULEUGLYVALALAGLNGLULEU
12   LYSALAGLUALAMETALAILEVALALASER
13   ALAARGPROLEUILEPHEGLYTHRGLYGLU
14   ALAGLYALAALAASN

Entity 2, Heme - 616.487 Da.

1   HEM

Samples:

sample_1: THB1, [U-100% 13C; U-100% 15N], 1 – 2 mM; Heme1 – 2 mM; potassium phosphate 90 mM; sodium dithionite 5 mM; H2O 5 mM; D2O 5 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

UniprotKB A8JAR4

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