BMRB Entry 19622
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19622
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Title: Solution structure of oxidized [2Fe-2S] ferredoxin PetF from Chlamydomonas reinhardtii
Deposition date: 2013-11-19 Original release date: 2014-11-17
Authors: Rumpel, Sigrun; Siebel, Judith; Fares, Christophe; Reijerse, Edward; Lubitz, Wolfgang
Citation: Rumpel, Sigrun; Siebel, Judith; Fares, Christophe; Happe, Thomas; Lubitz, Wolfgang; Reijerse, Edward; Winkler, Martin. "Redirecting Elctrons from Photosystem I to Hydrogenase: Towards Increased Hydrogen Production in Algae" Biochemistry ., .-..
Assembly members:
entity_1, polymer, 101 residues, 10840.030 Da.
FE2/S2 (INORGANIC) CLUSTER, non-polymer, 175.820 Da.
Natural source: Common Name: Green Algae Taxonomy ID: 3055 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Chlamydomonas reinhardtii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MYKVTLKTPSGDKTIECPAD
TYILDAAEEAGLDLPYSCRA
GACSSCAGKVAAGTVDQSDQ
SFLDDAQMGNGFVLTCVAYP
TSDCTIQTHQEEALYENLYF
Q
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 371 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 575 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PetF monomer | 1 |
| 2 | FE2/S2 (INORGANIC) CLUSTER | 2 |
Entities:
Entity 1, PetF monomer 101 residues - 10840.030 Da.
| 1 | MET | TYR | LYS | VAL | THR | LEU | LYS | THR | PRO | SER | ||||
| 2 | GLY | ASP | LYS | THR | ILE | GLU | CYS | PRO | ALA | ASP | ||||
| 3 | THR | TYR | ILE | LEU | ASP | ALA | ALA | GLU | GLU | ALA | ||||
| 4 | GLY | LEU | ASP | LEU | PRO | TYR | SER | CYS | ARG | ALA | ||||
| 5 | GLY | ALA | CYS | SER | SER | CYS | ALA | GLY | LYS | VAL | ||||
| 6 | ALA | ALA | GLY | THR | VAL | ASP | GLN | SER | ASP | GLN | ||||
| 7 | SER | PHE | LEU | ASP | ASP | ALA | GLN | MET | GLY | ASN | ||||
| 8 | GLY | PHE | VAL | LEU | THR | CYS | VAL | ALA | TYR | PRO | ||||
| 9 | THR | SER | ASP | CYS | THR | ILE | GLN | THR | HIS | GLN | ||||
| 10 | GLU | GLU | ALA | LEU | TYR | GLU | ASN | LEU | TYR | PHE | ||||
| 11 | GLN |
Entity 2, FE2/S2 (INORGANIC) CLUSTER - Fe2 S2 - 175.820 Da.
| 1 | FES |
Samples:
sample_1: PetF monomer mM; potassium phosphate 50 mM; sodium chloride 50 mM; DTT 2 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA, Linge, O, . - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
SPARKY, Goddard - data analysis
ProcheckNMR, Laskowski and MacArthur - data analysis
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts