BMRB Entry 34460
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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/BMR34460
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title: Cytochrome C from Thioalkalivibrio paradoxus
Deposition date: 2019-11-27 Original release date: 2020-12-14
Authors: Bocharov, E.; Altukhov, D.; Timofeev, V.; Dergousova, N.; Rakitina, T.; Tikhonova, T.; Popov, V.
Citation: Bocharov, E.; Altukhov, D.; Timofeev, V.; Dergousova, N.; Rakitina, T.; Tikhonova, T.; Popov, V.. "Cytochrome C from Thioalkalivibrio paradoxus" .
Assembly members:
entity_1, polymer, 153 residues, 16737.066 Da.
entity_HEC, non-polymer, 618.503 Da.
Natural source: Common Name: Thioalkalivibrio nitratireducens DSM 14787 Taxonomy ID: 1255043 Superkingdom: Bacteria Kingdom: not available Genus/species: Thioalkalivibrio nitratireducens
Experimental source: Production method: recombinant technology Host organism: Thioalkalivibrio paradoxus
Entity Sequences (FASTA):
entity_1: MDIGINSDPHPPHHHDHHGH
GSGWEVPEAEIHRENPIPPD
ARSLDQGGVLYAEHCVRCHG
ETLRGDGPDAHDLDPPVADL
VEHAPHHSDGDLAYRVRIGR
GPMPGFGDALDERDIWDLVN
FMRDRAQGAALAGTNGHSPD
HAAGDHHHGDHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 287 |
| 15N chemical shifts | 106 |
| 1H chemical shifts | 306 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 153 residues - 16737.066 Da.
| 1 | MET | ASP | ILE | GLY | ILE | ASN | SER | ASP | PRO | HIS | ||||
| 2 | PRO | PRO | HIS | HIS | HIS | ASP | HIS | HIS | GLY | HIS | ||||
| 3 | GLY | SER | GLY | TRP | GLU | VAL | PRO | GLU | ALA | GLU | ||||
| 4 | ILE | HIS | ARG | GLU | ASN | PRO | ILE | PRO | PRO | ASP | ||||
| 5 | ALA | ARG | SER | LEU | ASP | GLN | GLY | GLY | VAL | LEU | ||||
| 6 | TYR | ALA | GLU | HIS | CYS | VAL | ARG | CYS | HIS | GLY | ||||
| 7 | GLU | THR | LEU | ARG | GLY | ASP | GLY | PRO | ASP | ALA | ||||
| 8 | HIS | ASP | LEU | ASP | PRO | PRO | VAL | ALA | ASP | LEU | ||||
| 9 | VAL | GLU | HIS | ALA | PRO | HIS | HIS | SER | ASP | GLY | ||||
| 10 | ASP | LEU | ALA | TYR | ARG | VAL | ARG | ILE | GLY | ARG | ||||
| 11 | GLY | PRO | MET | PRO | GLY | PHE | GLY | ASP | ALA | LEU | ||||
| 12 | ASP | GLU | ARG | ASP | ILE | TRP | ASP | LEU | VAL | ASN | ||||
| 13 | PHE | MET | ARG | ASP | ARG | ALA | GLN | GLY | ALA | ALA | ||||
| 14 | LEU | ALA | GLY | THR | ASN | GLY | HIS | SER | PRO | ASP | ||||
| 15 | HIS | ALA | ALA | GLY | ASP | HIS | HIS | HIS | GLY | ASP | ||||
| 16 | HIS | HIS | HIS |
Entity 2, entity_2 - C34 H34 Fe N4 O4 - 618.503 Da.
| 1 | HEC |
Samples:
sample_1: entity_1 mM; D2O, [U-2H], 5%
sample_conditions_1: ionic strength: 0.375 M; pH: 6.7; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
GROMACS, Herman Berendsen's group, department of Biophysical Chemistry of Groningen University - refinement
TALOS+, Cornilescu, Delaglio and Bax - chemical shift assignment
NMR spectrometers:
- Agilent Uniform NMR System 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts