BMRB Entry 51847
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51847
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NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Martinez Grundman, Jaime; Johnson, Eric; Lecomte, Juliette. "Architectural digest: Thermodynamic stability and domain structure of a consensus monomeric globin" Biophys. J. 122, 3117-3132 (2023).
PubMed: 37353934
Assembly members:
entity_1, polymer, 119 residues, 13210.76 Da.
entity_HEM, non-polymer, 616.487 Da.
entity_CYN, non-polymer, 26.017 Da.
Natural source: Common Name: pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJExpress414
Entity Sequences (FASTA):
entity_1: SSLYERIGGEEAVEAVVDDF
YKRVLADDRLAPFFEGTDME
RQRAHQKAFLTAALGGPVEY
TGRDMREAHAGLGITDEHFD
AVAEHLVATLRELGVPEELI
DEVLAIVASLRDDVLNRNK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 336 |
| 15N chemical shifts | 112 |
| 1H chemical shifts | 235 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cGlbN | 1 |
| 2 | heme | 2 |
| 3 | cyanide | 3 |
Entities:
Entity 1, cGlbN 119 residues - 13210.76 Da.
Initial Met (Met1) is cleaved
| 1 | SER | SER | LEU | TYR | GLU | ARG | ILE | GLY | GLY | GLU | ||||
| 2 | GLU | ALA | VAL | GLU | ALA | VAL | VAL | ASP | ASP | PHE | ||||
| 3 | TYR | LYS | ARG | VAL | LEU | ALA | ASP | ASP | ARG | LEU | ||||
| 4 | ALA | PRO | PHE | PHE | GLU | GLY | THR | ASP | MET | GLU | ||||
| 5 | ARG | GLN | ARG | ALA | HIS | GLN | LYS | ALA | PHE | LEU | ||||
| 6 | THR | ALA | ALA | LEU | GLY | GLY | PRO | VAL | GLU | TYR | ||||
| 7 | THR | GLY | ARG | ASP | MET | ARG | GLU | ALA | HIS | ALA | ||||
| 8 | GLY | LEU | GLY | ILE | THR | ASP | GLU | HIS | PHE | ASP | ||||
| 9 | ALA | VAL | ALA | GLU | HIS | LEU | VAL | ALA | THR | LEU | ||||
| 10 | ARG | GLU | LEU | GLY | VAL | PRO | GLU | GLU | LEU | ILE | ||||
| 11 | ASP | GLU | VAL | LEU | ALA | ILE | VAL | ALA | SER | LEU | ||||
| 12 | ARG | ASP | ASP | VAL | LEU | ASN | ARG | ASN | LYS |
Entity 2, heme - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Entity 3, cyanide - C N - 26.017 Da.
| 1 | CYN |
Samples:
sample_1: cGlbN, [U-13C; U-15N], 2 mM; potassium phosphate 15 mM; KCN 5 mM
sample_2: cGlbN 1.4 mM; potassium phosphate 8 mM; KCN 7 mM
sample_conditions_1: ionic strength: 0.039 M; pH: 7.2; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.022 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | 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 HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 1D 1H | sample_2 | isotropic | sample_conditions_2 |
| 2D DQF-COSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
TOPSPIN - collection
NMRPipe - processing
CARA - chemical shift assignment, data analysis
SPARKY - chemical shift assignment, data analysis
CcpNMR - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker AVANCE II 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks