BMRB Entry 34064
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34064
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Title: Solution structure and dynamics of the first outer membrane cytochrome from Geobacter sulfurreducens PubMed: 28377068
Deposition date: 2016-11-10 Original release date: 2017-04-06
Authors: Dantas, J.; Silva, M.; Morgado, L.; Pantoja-Uceda, D.; Turner, D.; Bruix, M.; Salgueiro, C.
Citation: Dantas, Joana; Silva, Marta; Pantoja-Uceda, David; Turner, David; Bruix, Marta; Salgueiro, Carlos. "Solution structure and dynamics of the outer membrane cytochrome OmcF from Geobacter sulfurreducens." Biochim. Biophys. Acta 1858, 733-741 (2017).
Assembly members:
entity_1, polymer, 80 residues, 8324.456 Da.
entity_HEC, non-polymer, 618.503 Da.
Natural source: Common Name: Geobacter sulfurreducens Taxonomy ID: 243231 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacter sulfurreducens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli DH5[alpha]
Entity Sequences (FASTA):
entity_1: AGGGELFATHCAGCHPQGGN
TVHPEKTLARARREANGIRT
VRDVAAYIRNPGPGMPAFGE
AMIPPADALKIGEYVVASFP
- assigned_chemical_shifts
- spectral_peak_list
Data type | Count |
15N chemical shifts | 73 |
1H chemical shifts | 519 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | entity_1 | 1 |
2 | HEME C | 2 |
Entities:
Entity 1, entity_1 80 residues - 8324.456 Da.
1 | ALA | GLY | GLY | GLY | GLU | LEU | PHE | ALA | THR | HIS | |
2 | CYS | ALA | GLY | CYS | HIS | PRO | GLN | GLY | GLY | ASN | |
3 | THR | VAL | HIS | PRO | GLU | LYS | THR | LEU | ALA | ARG | |
4 | ALA | ARG | ARG | GLU | ALA | ASN | GLY | ILE | ARG | THR | |
5 | VAL | ARG | ASP | VAL | ALA | ALA | TYR | ILE | ARG | ASN | |
6 | PRO | GLY | PRO | GLY | MET | PRO | ALA | PHE | GLY | GLU | |
7 | ALA | MET | ILE | PRO | PRO | ALA | ASP | ALA | LEU | LYS | |
8 | ILE | GLY | GLU | TYR | VAL | VAL | ALA | SER | PHE | PRO |
Entity 2, HEME C - C34 H34 Fe N4 O4 - 618.503 Da.
1 | HEC |
Samples:
sample_2: Outer membrane protein, OmcF 2 mM
sample_3: Outer membrane protein, OmcF 2 mM
sample_1: Outer membrane protein, OmcF, [U-13C; U-15N], 2 mM
sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K
sample_conditions_3: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_3 |
2D 1H-1H COSY | sample_3 | isotropic | sample_conditions_3 |
2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-1H COSY | sample_2 | isotropic | sample_conditions_2 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_3 |
Software:
DYANA, Guntert P., Guntert, Braun and Wuthrich - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts