BMRB Entry 5304
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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/BMR5304
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Bartalesi, I.; Bertini, I.; Hajieva, P.; Rosato, A.; Vasos, P.. "Solution Structure of a Monoheme Ferrocytochrome c from Shewanella putrefaciens
and Structural Analysis of Sequence-similar Proteins: Functional Implications " Biochemistry 41, 5112-5119 (2002).
PubMed: 11955059
Assembly members:
ScyA, polymer, 81 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
Natural source: Common Name: Shewanella putrefaciens Taxonomy ID: 24 Superkingdom: Bacteria Kingdom: not available Genus/species: Shewanella putrefaciens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
ScyA: ADLQDAEAIYNKACTVCHSM
GVAGAPKSHNTADWEPRLAK
GVDNLVKSVKTGLNAMPPGG
MCTDCTDEDYKAAIEFMSKA
K
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 533 |
| 15N chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | mono-heme c-type cytochrome ScyA | 1 |
| 2 | HEME C | 2 |
Entities:
Entity 1, mono-heme c-type cytochrome ScyA 81 residues - Formula weight is not available
| 1 | ALA | ASP | LEU | GLN | ASP | ALA | GLU | ALA | ILE | TYR | ||||
| 2 | ASN | LYS | ALA | CYS | THR | VAL | CYS | HIS | SER | MET | ||||
| 3 | GLY | VAL | ALA | GLY | ALA | PRO | LYS | SER | HIS | ASN | ||||
| 4 | THR | ALA | ASP | TRP | GLU | PRO | ARG | LEU | ALA | LYS | ||||
| 5 | GLY | VAL | ASP | ASN | LEU | VAL | LYS | SER | VAL | LYS | ||||
| 6 | THR | GLY | LEU | ASN | ALA | MET | PRO | PRO | GLY | GLY | ||||
| 7 | MET | CYS | THR | ASP | CYS | THR | ASP | GLU | ASP | TYR | ||||
| 8 | LYS | ALA | ALA | ILE | GLU | PHE | MET | SER | LYS | ALA | ||||
| 9 | LYS |
Entity 2, HEME C - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
sample_1: ScyA, [U-15N], 1.5 mM; PROTOPORPHYRIN IX CONTAINING FE 1.5 mM; phosphate buffer 100 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 7.0 na; temperature: 298 K; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | sample_1 | not available | sample_cond_1 |
| 3D 15N-separated TOCSY | sample_1 | not available | sample_cond_1 |
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| HNHA | sample_1 | not available | sample_cond_1 |
| HNHB | sample_1 | not available | sample_cond_1 |
| 15N-HSQC | sample_1 | not available | sample_cond_1 |
Software:
DYANA v1.5 - structure solution
AMBER v6 - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks