BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 27869

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27869

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Title: Backbone assignment of cytochrome PccH, a crucial protein for microbial electrosynthesis in Geobacter sulfurreducens   PubMed: 31119489

Deposition date: 2019-04-04 Original release date: 2019-07-09

Authors: Teixeira, Liliana; Portela, Pilar; Bruix, Marta; Salgueiro, Carlos

Citation: Teixeira, Liliana; Portela, Pilar; Morgado, Leonor; Pantoja-Uceda, David; Bruix, Marta; Salgueiro, Carlos. "Backbone assignment of cytochrome PccH, a crucial protein for microbial electrosynthesis in Geobacter sulfurreducens"  Biomol. NMR Assignments 13, 321-326 (2019).

Assembly members:
PccH_Polypeptide, polymer, 129 residues, Formula weight is not available
entity_HEM, non-polymer, 616.487 Da.

Natural source:   Common Name: Geobacter sulfurreducens   Taxonomy ID: 35554   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Geobacter sulfurreducens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pCS3274

Entity Sequences (FASTA):
PccH_Polypeptide: GEVTYRKDIKPIFDVRCAGC HGADAAPEYHAFKAEKEKWL AKGQGMRMDTYSHLIFYTAW PDTGALMRRLDDGKNSKDAK PGNMYRHLGATEEERQRNLA VFKAWVGVWNLKKWPDITKE ELNAITVTY

Data sets:
Data typeCount
13C chemical shifts485
15N chemical shifts121
1H chemical shifts679

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PccH_Polypeptide1
2PROTOPORPHYRIN IX CONTAINING FE2

Entities:

Entity 1, PccH_Polypeptide 129 residues - Formula weight is not available

1   GLYGLUVALTHRTYRARGLYSASPILELYS
2   PROILEPHEASPVALARGCYSALAGLYCYS
3   HISGLYALAASPALAALAPROGLUTYRHIS
4   ALAPHELYSALAGLULYSGLULYSTRPLEU
5   ALALYSGLYGLNGLYMETARGMETASPTHR
6   TYRSERHISLEUILEPHETYRTHRALATRP
7   PROASPTHRGLYALALEUMETARGARGLEU
8   ASPASPGLYLYSASNSERLYSASPALALYS
9   PROGLYASNMETTYRARGHISLEUGLYALA
10   THRGLUGLUGLUARGGLNARGASNLEUALA
11   VALPHELYSALATRPVALGLYVALTRPASN
12   LEULYSLYSTRPPROASPILETHRLYSGLU
13   GLULEUASNALAILETHRVALTHRTYR

Entity 2, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: PccH_Polypeptide, [U-100% 13C; U-100% 15N], 0.64 mM; PROTOPORPHYRIN IX CONTAINING FE 0.64 mM; H2O 92%; D2O, [U-2H], 8%; sodium phosphate 32 mM; sodium chloride 100 mM

sample_2: PccH_Polypeptide 1 mM; PROTOPORPHYRIN IX CONTAINING FE 1 mM; H2O 92%; D2O, [U-2H], 8%; sodium phosphate 32 mM; sodium chloride 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 100 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

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