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 16842

Title: 1H and 15N resonance assignments for fully reduced triheme cytochrome PpcA from Geobacter sulfurreducens   PubMed: 21069484

Deposition date: 2010-04-06 Original release date: 2011-05-23

Authors: Morgado, Leonor; Paixao, Vitor; Bruix, Marta; Salgueiro, Carlos

Citation: Morgado, Leonor; Paixao, Vitor; Salgueiro, Carlos; Bruix, Marta. "1H and 15N resonance assignments for fully reduced triheme cytochrome PpcA from Geobacter sulfurreducens"  Biomol. NMR Assignments 5, 113-116 (2011).

Assembly members:
PpcA_backbone, polymer, 71 residues, 7748.196 Da.
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

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

Data sets:
Data typeCount
15N chemical shifts73
1H chemical shifts522

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PpcA_backbone1
2Heme I2
3Heme III2
4Heme IV2

Entities:

Entity 1, PpcA_backbone 71 residues - 7748.196 Da.

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

Entity 2, Heme I - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

PpcA_1H: entity_1 1 mM; sodium phosphate 45 mM; sodium azide 0.04%; H2O 93%; D2O 7%

PpcA_15N: entity_1, [U-15N], 1 mM; sodium phosphate 45 mM; sodium azide 0.04%; H2O 93%; D2O 7%

PpcA_D2O: entity_1 1 mM; sodium phosphate 45 mM; sodium azide 0.04%; D2O 100%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCPpcA_15Nisotropicsample_conditions_1
3D 1H-15N NOESYPpcA_15Nisotropicsample_conditions_1
3D 1H-15N TOCSYPpcA_15Nisotropicsample_conditions_1
2D 1H-1H COSYPpcA_1Hisotropicsample_conditions_1
2D 1H-1H TOCSYPpcA_1Hisotropicsample_conditions_1
2D 1H-1H NOESYPpcA_1Hisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment

PARADYANA, Turner - structure solution calculation

Molmol, Koradi, Billeter and Wuthrich - rms and mean structure calculations, superimposition, visual inspection

ProcheckNMR, Laskowski and MacArthur - Identification and classification of the consensus secondary structure

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 18787
PDB
GB AAN40982 AAR33943 ADI83454 AJY70365
REF NP_951670 WP_010941274

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