BMRB Entry 19273
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19273
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Title: Structural characterization of E. coli ISC-type Ferredoxin PubMed: 24265733
Deposition date: 2013-05-28 Original release date: 2014-02-13
Authors: Adinolfi, Salvatore; Iannuzi, Clara; Kelly, Geoff; Oregioni, Alain; Martin, Stephen
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).
Assembly members:
holo-Ferredoxin, polymer, 115 residues, 12658.1 Da.
FE2/S2 (INORGANIC) CLUSTER, non-polymer, 175.820 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
holo-Ferredoxin: QGAMAPKIVILPHQDLCPDG
AVLEANSGETILDAALRNGI
EIEHACEKSCACTTCHCIVR
EGFDSLPESSEQEDDMLDKA
WGLEPESRLSCQARVTDEDL
VVEIPRYTINHAREH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 241 |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 81 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | holo--Ferredoxin | 1 |
| 2 | 2FE 2S | 2 |
Entities:
Entity 1, holo--Ferredoxin 115 residues - 12658.1 Da.
Residues -3 to 1 represent vector encoded sequence after cleavage with TEV
| 1 | GLN | GLY | ALA | MET | ALA | PRO | LYS | ILE | VAL | ILE | ||||
| 2 | LEU | PRO | HIS | GLN | ASP | LEU | CYS | PRO | ASP | GLY | ||||
| 3 | ALA | VAL | LEU | GLU | ALA | ASN | SER | GLY | GLU | THR | ||||
| 4 | ILE | LEU | ASP | ALA | ALA | LEU | ARG | ASN | GLY | ILE | ||||
| 5 | GLU | ILE | GLU | HIS | ALA | CYS | GLU | LYS | SER | CYS | ||||
| 6 | ALA | CYS | THR | THR | CYS | HIS | CYS | ILE | VAL | ARG | ||||
| 7 | GLU | GLY | PHE | ASP | SER | LEU | PRO | GLU | SER | SER | ||||
| 8 | GLU | GLN | GLU | ASP | ASP | MET | LEU | ASP | LYS | ALA | ||||
| 9 | TRP | GLY | LEU | GLU | PRO | GLU | SER | ARG | LEU | SER | ||||
| 10 | CYS | GLN | ALA | ARG | VAL | THR | ASP | GLU | ASP | LEU | ||||
| 11 | VAL | VAL | GLU | ILE | PRO | ARG | TYR | THR | ILE | ASN | ||||
| 12 | HIS | ALA | ARG | GLU | HIS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_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
Related Database Links:
| BMRB | 18991 18992 |
| PDB | |
| DBJ | BAA16415 BAB36814 BAG78335 BAI26770 BAI31799 |
| EMBL | CAP76977 CAQ32898 CAQ88191 CAQ99416 CAR03967 |
| GB | AAA23755 AAC75578 AAG57639 AAN44071 AAN81500 |
| REF | NP_311418 NP_417020 NP_708364 WP_001124467 WP_001124468 |
| SP | P0A9R4 P0A9R5 P0A9R6 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts