BMRB Entry 18787

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18787
MolProbity Validation Chart

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

Title:
Solution structure of a mutant of the triheme cytochrome PpcA from Geobacter sulfurreducens sheds light on the role of the conserved aromatic residue F15
Deposition date:
2012-10-12
Original release date:
2013-01-28
Authors:
Dantas, Joana; Morgado, Leonor; Turner, David; Salgueiro, Carlos
Citation:

Citation: Dantas, Joana; Morgado, Leonor; Pokkuluri, P. Raj; Turner, David; Salgueiro, Carlos. "Solution structure of a mutant of the triheme cytochrome PpcA from Geobacter sulfurreducens sheds light on the role of the conserved aromatic residue F15."  Biochim. Biophys. Acta 1827, 484-492 (2013).
PubMed: 23313804

Assembly members:

Assembly members:
F15L_polypeptide, polymer, 71 residues, 7714.178 Da.
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pCK32

Entity Sequences (FASTA):

Entity Sequences (FASTA):
F15L_polypeptide: ADDIVLKAKNGDVKLPHKAH QKAVPDCKKCHEKGPGKIEG FGKEMAHGKGCKGCHEEMKK GPTKCGECHKK

Data sets:
Data typeCount
15N chemical shifts73
1H chemical shifts478

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1F15L_polypeptide1
2PROTOPORPHYRIN IX CONTAINING FE 12
3PROTOPORPHYRIN IX CONTAINING FE 22
4PROTOPORPHYRIN IX CONTAINING FE 32

Entities:

Entity 1, F15L_polypeptide 71 residues - 7714.178 Da.

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

Entity 2, PROTOPORPHYRIN IX CONTAINING FE 1 - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: F15L 0.4 mM; PROTOPORPHYRIN IX CONTAINING FE 3 mM; sodium phosphate 45 mM; sodium azide 0.04%; H2O 93%; D2O 7%

sample_2: F15L polypeptide, [U-100% 15N], 0.4 mM; PROTOPORPHYRIN IX CONTAINING FE 3 mM; sodium phosphate 45 mM; sodium azide 0.04%; H2O 93%; D2O 7%

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

sample_conditions_2: ionic strength: 45 mM; pH: 7.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment

PARADYANA, Turner, D. L. Brennan, L. Chamberlin, S. G. Louro, R. O. Xavier, A. V. - chemical shift calculation, refinement

Molmol, Koradi, Billeter and Wuthrich - superimposition, visual inspection

CING, Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister - validation

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16842
PDB
GB AAN40982 AAR33943 ADI83454 AJY70365
REF NP_951670 WP_010941274

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