BMRB Entry 15765
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15765
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Paixao, Vitor; Salgueiro, Carlos; Brennan, Lorraine; Reid, Graeme; Chapman, Stephen; Turner, David. "The Solution Structure of a Tetraheme Cytochrome from Shewanella frigidimarina Reveals a Novel Family Structural Motif" Biochemistry 47, 11973-11980 (2008).
PubMed: 18950243
Assembly members:
Sfc, polymer, 86 residues, 11778 Da.
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, Formula weight is not available
Natural source: Common Name: Shewanella frigidimarina Taxonomy ID: 56812 Superkingdom: Bacteria Kingdom: not available Genus/species: Shewanella frigidimarina
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJQ200KS
Entity Sequences (FASTA):
Sfc: ADETLAEFHVEMGGCENCHA
DGEPSKDGAYEFEQCQSCHG
SLAEMDDNHKPHDGLLMCAD
CHAPHEAKVGEKPTCDTCHD
DGRTAK
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 551 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Sfc | 1 |
| 2 | Heme 1 | 2 |
| 3 | Heme 2 | 2 |
| 4 | Heme 3 | 2 |
| 5 | Heme 4 | 2 |
Entities:
Entity 1, Sfc 86 residues - 11778 Da.
| 1 | ALA | ASP | GLU | THR | LEU | ALA | GLU | PHE | HIS | VAL | ||||
| 2 | GLU | MET | GLY | GLY | CYS | GLU | ASN | CYS | HIS | ALA | ||||
| 3 | ASP | GLY | GLU | PRO | SER | LYS | ASP | GLY | ALA | TYR | ||||
| 4 | GLU | PHE | GLU | GLN | CYS | GLN | SER | CYS | HIS | GLY | ||||
| 5 | SER | LEU | ALA | GLU | MET | ASP | ASP | ASN | HIS | LYS | ||||
| 6 | PRO | HIS | ASP | GLY | LEU | LEU | MET | CYS | ALA | ASP | ||||
| 7 | CYS | HIS | ALA | PRO | HIS | GLU | ALA | LYS | VAL | GLY | ||||
| 8 | GLU | LYS | PRO | THR | CYS | ASP | THR | CYS | HIS | ASP | ||||
| 9 | ASP | GLY | ARG | THR | ALA | LYS |
Entity 2, Heme 1 1 residues - C34 H32 N4 O4 FE1 - Formula weight is not available
| 1 | HEM_red |
Samples:
D2O_sample: Sfc 3 mM; NaCl 0.1 M
H2O_sample: Sfc 3 mM; NaCl 0.1 M
sample_conditions_1: ionic strength: 0.1 M; pH: 6.1; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | H2O_sample | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | H2O_sample | isotropic | sample_conditions_1 |
| 2D DQF-COSY | H2O_sample | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | D2O_sample | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | D2O_sample | isotropic | sample_conditions_1 |
Software:
XWIN-NMR, Bruker Biospin - data analysis
XEASY, Bartels et al. - chemical shift assignment, peak picking
SPARKY, Goddard - Integration, chemical shift assignment, peak picking
PARADYANA, (INDYANA) Turner et al. - structure solution calculation
Molmol v2.0, Koradi, Billeter and Wuthrich - rms and mean structure calculations, superimposition, visual inspection
WhatIF v20030529-0952, Vriend - Stereochemical analysis
ProcheckNMR, Laskowski and MacArthur - Identification and classification of the consensus secondary structure
NMR spectrometers:
- Bruker DRX 500 MHz