BMRB Entry 19273

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19273
MolProbity Validation Chart

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Title:
Structural characterization of E. coli ISC-type Ferredoxin
Deposition date:
2013-05-28
Original release date:
2014-02-13
Authors:
Adinolfi, Salvatore; Iannuzi, Clara; Kelly, Geoff; Oregioni, Alain; Martin, Stephen
Citation:

Citation: Yan, Robert; Adinolfi, Salvatore; Iannuzzi, Clara; Kelly, Geoff; Oregioni, Alain; Martin, Stephen; Pastore, Annalisa. "Cluster and fold stability of E. coli ISC-type ferredoxin."  PLoS ONE 8, e78948-e78948 (2013).
PubMed: 24265733

Assembly members:

Assembly members:
holo-Ferredoxin, polymer, 115 residues, 12658.1 Da.
FE2/S2 (INORGANIC) CLUSTER, non-polymer, 175.820 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-24

Entity Sequences (FASTA):

Entity Sequences (FASTA):
holo-Ferredoxin: QGAMAPKIVILPHQDLCPDG AVLEANSGETILDAALRNGI EIEHACEKSCACTTCHCIVR EGFDSLPESSEQEDDMLDKA WGLEPESRLSCQARVTDEDL VVEIPRYTINHAREH

Data sets:
Data typeCount
13C chemical shifts241
15N chemical shifts81
1H chemical shifts81

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1holo--Ferredoxin1
22FE 2S2

Entities:

Entity 1, holo--Ferredoxin 115 residues - 12658.1 Da.

Residues -3 to 1 represent vector encoded sequence after cleavage with TEV

1   GLNGLYALAMETALAPROLYSILEVALILE
2   LEUPROHISGLNASPLEUCYSPROASPGLY
3   ALAVALLEUGLUALAASNSERGLYGLUTHR
4   ILELEUASPALAALALEUARGASNGLYILE
5   GLUILEGLUHISALACYSGLULYSSERCYS
6   ALACYSTHRTHRCYSHISCYSILEVALARG
7   GLUGLYPHEASPSERLEUPROGLUSERSER
8   GLUGLNGLUASPASPMETLEUASPLYSALA
9   TRPGLYLEUGLUPROGLUSERARGLEUSER
10   CYSGLNALAARGVALTHRASPGLUASPLEU
11   VALVALGLUILEPROARGTYRTHRILEASN
12   HISALAARGGLUHIS

Entity 2, 2FE 2S - Fe2 S2 - 175.820 Da.

1   FES

Samples:

sample_1: holo-Ferredoxin, [U-99% 13C; U-99% 15N], 0.5 mM; TRIS 20 mM; sodium chloride 500 mM; TCEP 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 500 mM; pH: 8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TOPSPIN, Bruker Biospin - collection

MARS, oung-sang Jung , Markus Zweckstetter - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 1 600 MHz
  • Bruker Avance3 700 MHz

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