BMRB Entry 27987

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27987

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Title:
Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state
Deposition date:
2019-07-24
Original release date:
2019-11-07
Authors:
Portela, Pilar; Dantas, Joana; Salgueiro, Carlos
Citation:

Citation: Portela, Pilar; Dantas, Joana; Salgueiro, Carlos. "Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state"  Biomol. NMR Assignments 14, 31-36 (2019).
PubMed: 31617060

Assembly members:

Assembly members:
PpcA_Polypeptide, polymer, 70 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: Geobacter metallireducens   Taxonomy ID: 269799   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):
PpcA_Polypeptide: ADELTFKAKNGDVKFPHKKH QQVVGNCKKCHEKGPGKIEG FGKDWAHKTCKGCHEEMKKG PTKCGDCHKK

Data sets:
Data typeCount
13C chemical shifts263
15N chemical shifts66
1H chemical shifts465

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PpcA_Polypeptide1
2HEM 12
3HEM 22
4HEM 32

Entities:

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

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

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

1   HEM

Samples:

sample_1: PpcA_Polypeptide, [U-100% 13C; U-100% 15N], 1 mM; PROTOPORPHYRIN IX CONTAINING FE 1 mM; D2O, [U-2H], 8%; H2O 92%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_2: PpcA_Polypeptide 0.6 mM; PROTOPORPHYRIN IX CONTAINING FE 0.6 mM; D2O, [U-2H], 8%; H2O 92%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_3: PpcA_Polypeptide 0.4 mM; PROTOPORPHYRIN IX CONTAINING FE 0.4 mM; D2O, [U-2H], 100%; sodium phosphate 45 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 5.6; pressure: 1 atm; temperature: 297.5 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
2D 1H-1H TOCSYsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1

Software:

SPARKY, Goddard - 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