BMRB Entry 7390

Title:
Solution model of crosslinked complex of cytochrome c and adrenodoxin
Deposition date:
2007-06-12
Original release date:
2008-06-12
Authors:
Xu, Xingfu; Reinle, Wolfgang; Hannemann, Frank; Konarev, Peter; Svergun, Dmitri; Bernhardt, Rita; Ubbink, Marcellus
Citation:

Citation: Xu, Xingfu; Reinle, Wolfgang; Hannemann, Frank; Konarev, Peter; Svergun, Dmitri; Bernhardt, Rita; Ubbink, Marcellus. "Dynamics in a pure encounter complex of two proteins studied by solution scattering and paramagnetic NMR spectroscopy"  J. Am. Chem. Soc. 130, 6395-6403 (2008).
PubMed: 18439013

Assembly members:

Assembly members:
Cytc, polymer, 108 residues, Formula weight is not available
Adx, polymer, 105 residues, Formula weight is not available
HEC, non-polymer, 618.503 Da.
FES, non-polymer, 175.820 Da.

Natural source:

Natural source:   Common Name: baker's yeast   Taxonomy ID: 4932   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Saccharomyces cerevisiae

Experimental source:

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

Data sets:
Data typeCount
15N chemical shifts146
1H chemical shifts146

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CcV28C1
2AdxL80C2
3HEME C3
4FE2/S2 (INORGANIC) CLUSTER4

Entities:

Entity 1, CcV28C 108 residues - Formula weight is not available

Residues -4-0 represent a non-native tag

1   THRGLUPHELYSALAGLYSERALALYSLYS
2   GLYALATHRLEUPHELYSTHRARGCYSLEU
3   GLNCYSHISTHRVALGLULYSGLYGLYPRO
4   HISLYSCYSGLYPROASNLEUHISGLYILE
5   PHEGLYARGHISSERGLYGLNALAGLUGLY
6   TYRSERTYRTHRASPALAASNILELYSLYS
7   ASNVALLEUTRPASPGLUASNASNMETSER
8   GLUTYRLEUTHRASNPROLYSLYSTYRILE
9   PROGLYTHRLYSMETALAPHEGLYGLYLEU
10   LYSLYSGLULYSASPARGASNASPLEUILE
11   THRTYRLEULYSLYSALATHRGLU

Entity 2, AdxL80C 105 residues - Formula weight is not available

The first two residues have no coordinates in AYF

1   GLUASPLYSILETHRVALHISPHEILEASN
2   ARGASPGLYGLUTHRLEUTHRTHRLYSGLY
3   LYSILEGLYASPSERLEULEUASPVALVAL
4   VALGLNASNASNLEUASPILEASPGLYPHE
5   GLYALACYSGLUGLYTHRLEUALACYSSER
6   THRCYSHISLEUILEPHEGLUGLNHISILE
7   PHEGLULYSLEUGLUALAILETHRASPGLU
8   GLUASNASPMETLEUASPCYSALATYRGLY
9   LEUTHRASPARGSERARGLEUGLYCYSGLN
10   ILESERLEUTHRLYSALAMETASPASNMET
11   THRVALARGVALPRO

Entity 3, HEME C - C34 H34 Fe N4 O4 - 618.503 Da.

1   HEC

Entity 4, FE2/S2 (INORGANIC) CLUSTER - Fe2 S2 - 175.820 Da.

1   FES

Samples:

CcV28C_AdxL80C: CcV28C, [U-98% 15N], 0.2 – 0.6 mM; AdxL80C0.2 – 0.6 mM; potassium phosphate 20 mM

AdxL80C_CcV28C: AdxL80C, [U-98% 15N], 0.2 – 0.6 mM; CcV28C0.2 – 0.6 mM; potassium phosphate 20 mM

CcV28C: CcV28C, [U-98% 15N], 1.0 mM; DTT 5 mM; potassium phosphate 20 mM

AdxL80C: AdxL80C, [U-98% 15N], 0.5 – 0.8 mM; DTT 5 mM; potassium phosphate 20 mM

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 285 K

sample_conditions_2: ionic strength: 0.4 M; pH: 7.4; pressure: 1 atm; temperature: 301 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCCcV28C_AdxL80Cisotropicsample_conditions_1
2D 1H-15N HSQCAdxL80C_CcV28Cisotropicsample_conditions_1
3D 1H-15N NOESYCcV28C_AdxL80Cisotropicsample_conditions_2
3D 1H-15N NOESYAdxL80C_CcV28Cisotropicsample_conditions_2
2D 1H-15N HSQCCcV28Cisotropicsample_conditions_1
2D 1H-15N HSQCAdxL80Cisotropicsample_conditions_1
3D 1H-15N NOESYAdxL80Cisotropicsample_conditions_1
3D 1H-15N TOCSYAdxL80Cisotropicsample_conditions_1

Software:

AZARA, Boucher - processing

ANSIG, Kraulis - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker DMX 600 MHz

Related Database Links:

PDB

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