BMRB Entry 5597

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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/BMR5597
MolProbity Validation Chart

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Title:
Structure and dynamics of reduced Bacillus pasteurii cytochrome c: oxidation state dependent properties and implications for electron transfer processes
Deposition date:
2002-11-25
Original release date:
2003-02-21
Authors:
Bartalesi, Ilaria; Bertini, Ivano; Rosato, Antonio
Citation:

Citation: Bartalesi, Ilaria; Bertini, Ivano; Rosato, Antonio. "Structure and Dynamics of Reduced Bacillus pasteurii Cytochrome c: Oxidation State Dependent Properties and Implications for Electron Transfer Processes"  Biochemistry 42, 739-745 (2003).
PubMed: 12534286

Assembly members:

Assembly members:
cytochrome c, polymer, 71 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cytochrome c: VDAEAVVQQKCISCHGGDLT GASAPAIDKAGANYSEEEIL DIILNGQGGMPGGIAKGAEA EAVAAWLAEKK

Data sets:
Data typeCount
1H chemical shifts461
13C chemical shifts1
15N chemical shifts75

Time Domain Data

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1cytochrome C1
2heme cofactor2

Entities:

Entity 1, cytochrome C 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 cofactor - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample1: cytochrome c 1 mM; phosphate buffer 100 mM

sample2: cytochrome c, [U-90% 15N], 1 mM; phosphate buffer 100 mM

condition1: pH: 7.0; temperature: 296 K; ionic strength: 100 mM

Experiments:

NameSampleSample stateSample conditions
1H-15N NOESYnot availablenot availablecondition1
1H-15N TOCSYnot availablenot availablecondition1
1H-1H NOESYnot availablenot availablecondition1
1H-1H TOCSYnot availablenot availablecondition1
HNHAnot availablenot availablecondition1
HNHBnot availablenot availablecondition1
N15 HSQCnot availablenot availablecondition1

Software:

No software information available

NMR spectrometers:

  • Bruker AVANCE 800 MHz
  • Bruker AVANCE 500 MHz

Related Database Links:

EMBL CAC39450
SWISS-PROT P82599
PDB
BMRB 5172

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