BMRB Entry 5172

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5172
MolProbity Validation Chart

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All files associated with the entry

Title:
1H and 15N Chemical Shift Assignments of oxidized cytochrome c553 from B. pasteurii
Deposition date:
2001-10-05
Original release date:
2002-05-06
Authors:
Banci, Lucia; Bertini, Ivano; Ciurli, Stefano; Dikiy, Alexander; Dittmer, Jens; Rosato, Antonio; Sciara, Giuliano; Thompsett, Andrew
Citation:

Citation: Banci, Lucia; Bertini, Ivano; Ciurli, Stefano; Dikiy, Alexander; Dittmer, Jens; Rosato, Antonio; Sciara, Giuliano; Thompsett, Andrew. "NMR Solution Structure, Backbone Mobility, and Homology Modeling of C-Type Cytochromes from Gram-positive Bacteria "  Chembiochem 3, 299-310 (2002).
PubMed: 11933230

Assembly members:

Assembly members:
Bacillus pasteurii cytochrome, polymer, 71 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, Formula weight is not available

Natural source:

Natural source:   Common Name: Bacillus pasteurii   Taxonomy ID: 1474   Superkingdom: Prokaryota   Kingdom: not available   Genus/species: Bacillus pasteurii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli. Escherichia   Vector: DH5(.PET20b)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bacillus pasteurii cytochrome: VDAEAVVQQKCISCHGGDLT GASAPAIDKAGANYSEEEIL DIILNGQGGMPGGIAKGAEA EAVAAWLAEKK

Data sets:
Data typeCount
1H chemical shifts477
15N chemical shifts73

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1B. pasteurii cyt c5531
2Heme2

Entities:

Entity 1, B. pasteurii cyt c553 71 residues - Formula weight is not available

1   VALASPALAGLUALAVALVALGLNGLNLYS
2   CYSILESERCYSHISGLYGLYASPLEUTHR
3   GLYALASERALAPROALAILEASPLYSALA
4   GLYALAASNTYRSERGLUGLUGLUILELEU
5   ASPILEILELEUASNGLYGLNGLYGLYMET
6   PROGLYGLYILEALALYSGLYALAGLUALA
7   GLUALAVALALAALATRPLEUALAGLULYS
8   LYS

Entity 2, Heme 1 residues - C34 H32 N4 O4 FE1 - Formula weight is not available

1   HEM_ox

Samples:

sample_1: Bacillus pasteurii cytochrome, [U-98% 15N], 1 – 1.5 mM; phosphate buffer 10 mM

Ex-cond_1: pH: 7.5; temperature: 293 K; ionic strength: 10 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D TOCSYnot availablenot availablenot available
NOESYnot availablenot availablenot available
1H-15N HSQCnot availablenot availablenot available
1D NOEnot availablenot availablenot available
3D NHHAnot availablenot availablenot available

Software:

XWINNMR v2.6 - data processing

XEASY v1.3.13 - data analysis, assignment

NMR spectrometers:

  • Bruker Avance 400 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 800 MHz

Related Database Links:

EMBL CAC39450
SWISS-PROT P82599
PDB
BMRB 5597

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