BMRB Entry 50731

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50731

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Backbone and heme resonance assignment of PpcAW45M mutant from G.metallireducens
Deposition date:
2021-01-23
Original release date:
2021-04-26
Authors:
Portela, Pilar; Salgueiro, Carlos
Citation:

Citation: Portela, Pilar; Silva, Marta; Teixeira, Liliana; Salgueiro, Carlos. "A unique aromatic residue modulates the redox range of a periplasmic multiheme cytochrome from Geobacter metallireducens"  J. Biol. Chem. 296, 100711-100711 (2021).
PubMed: 33915126

Assembly members:

Assembly members:
entity_1, polymer, 70 residues, Formula weight is not available
entity_HEM, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: Geobacter metallireducens   Taxonomy ID: 28232   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Geobacter metallireducens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pCSGmet2902

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ADELTFKAKNGDVKFPHKKH QQVVGNCKKCHEKGPGKIEG FGKDMAHKTCKGCHEEMKKG PTKCGDCHKK

Data sets:
Data typeCount
15N chemical shifts74
1H chemical shifts113

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PpcAW45M_polypeptide1
2HEM 12
3HEM 22
4HEM 32

Entities:

Entity 1, PpcAW45M_polypeptide 70 residues - Formula weight is not available

1   ALAASPGLULEUTHRPHELYSALALYSASN
2   GLYASPVALLYSPHEPROHISLYSLYSHIS
3   GLNGLNVALVALGLYASNCYSLYSLYSCYS
4   HISGLULYSGLYPROGLYLYSILEGLUGLY
5   PHEGLYLYSASPMETALAHISLYSTHRCYS
6   LYSGLYCYSHISGLUGLUMETLYSLYSGLY
7   PROTHRLYSCYSGLYASPCYSHISLYSLYS

Entity 2, HEM 1 - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: Cytochrome PpcAW45M, [U-100% 15N], 0.8 mM; D2O, [U-2H], 8%; H2O 92%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_2: Cytochrome PpcAW45M 0.8 mM; D2O, [U-2H], 100%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

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