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 25477

Title: Solution structure of oxidized triheme cytochrome PpcA from Geobacter sulfurreducens   PubMed: 28062839

Deposition date: 2015-02-08 Original release date: 2016-02-08

Authors: Morgado, Leonor; Bruix, Marta; Pokkuluri, Raj; Salgueiro, Carlos; Turner, David

Citation: Morgado, Leonor; Bruix, Marta; Pokkuluri, Raj; Salgueiro, Carlos; Turner, David. "Redox- and pH-linked conformational changes in triheme cytochrome PpcA from Geobacter sulfurreducens."  Biochem. J. 474, 231-246 (2017).

Assembly members:
entity_1, polymer, 71 residues, 7748.196 Da.
entity_HEC, non-polymer, 618.503 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

Entity Sequences (FASTA):
entity_1: ADDIVLKAKNGDVKFPHKAH QKAVPDCKKCHEKGPGKIEG FGKEMAHGKGCKGCHEEMKK GPTKCGECHKK

Data sets:
Data typeCount
15N chemical shifts63
1H chemical shifts441

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2PROTOPORPHYRIN IX CONTAINING FE_12
3PROTOPORPHYRIN IX CONTAINING FE_22
4PROTOPORPHYRIN IX CONTAINING FE_32

Entities:

Entity 1, entity_1 71 residues - 7748.196 Da.

1   ALAASPASPILEVALLEULYSALALYSASN
2   GLYASPVALLYSPHEPROHISLYSALAHIS
3   GLNLYSALAVALPROASPCYSLYSLYSCYS
4   HISGLULYSGLYPROGLYLYSILEGLUGLY
5   PHEGLYLYSGLUMETALAHISGLYLYSGLY
6   CYSLYSGLYCYSHISGLUGLUMETLYSLYS
7   GLYPROTHRLYSCYSGLYGLUCYSHISLYS
8   LYS

Entity 2, PROTOPORPHYRIN IX CONTAINING FE_1 - C34 H34 Fe N4 O4 - 618.503 Da.

1   HEC

Samples:

sample_1: entity_1 2 mM; H2O 92%; D2O 8%; sodium phosphate 45 mM; sodium azide 0.04%

sample_2: entity_1, [U-100% 15N], 2 mM; H2O 92%; D2O 8%; sodium phosphate 45 mM; sodium azide 0.04%

sample_conditions_1: ionic strength: 100 mM; pH: 5.5; 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_2isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, peak picking

PARADYANA, Guntert, Braun and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz

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