BMRB Entry 17904
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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/BMR17904
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Title: NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states PubMed: 22087268
Deposition date: 2011-08-31 Original release date: 2011-12-06
Authors: Lan, Wenxian; Wang, Zhonghua; Yang, Zhongzheng; Zhu, Jing; Ying, Tianlei; Jiang, Xianwang; Zhang, Xu; Wu, Houming; Liu, Maili; Tan, Xiangshi; Cao, Chunyang; Huang, Zhong-xian
Citation: Lan, Wenxian; Wang, Zhonghua; Yang, Zhongzheng; Zhu, Jing; Ying, Tianlei; Jiang, Xianwang; Zhang, Xu; Wu, Houming; Liu, Maili; Tan, Xiangshi; Cao, Chunyang; Huang, Zhong-xian. "Conformational toggling of Yeast Iso-1-cytochrome c in the oxidized and reduced states" PLoS One 6, e27219-. (2011).
Assembly members:
Iso-1-cytochrome, polymer, 108 residues, 12054.826 Da.
HEC, non-polymer, 618.503 Da.
Natural source: Common Name: baker Taxonomy ID: 4932 Superkingdom: not available Kingdom: not available Genus/species: Eukaryota Fungi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Iso-1-cytochrome: TEFKAGSAKKGATLFKTRCL
QCHTVEKGGPHKVGPNLHGI
FGRHSGQAEGYSYTDANIKK
NVLWDENNMSEYLTNHAKYI
PGTKMAFGGLKKEKDRNDLI
TYLKKATE
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 616 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Iso-1-cytochrome | 1 |
| 2 | HEC | 2 |
Entities:
Entity 1, Iso-1-cytochrome 108 residues - 12054.826 Da.
| 1 | THR | GLU | PHE | LYS | ALA | GLY | SER | ALA | LYS | LYS | ||||
| 2 | GLY | ALA | THR | LEU | PHE | LYS | THR | ARG | CYS | LEU | ||||
| 3 | GLN | CYS | HIS | THR | VAL | GLU | LYS | GLY | GLY | PRO | ||||
| 4 | HIS | LYS | VAL | GLY | PRO | ASN | LEU | HIS | GLY | ILE | ||||
| 5 | PHE | GLY | ARG | HIS | SER | GLY | GLN | ALA | GLU | GLY | ||||
| 6 | TYR | SER | TYR | THR | ASP | ALA | ASN | ILE | LYS | LYS | ||||
| 7 | ASN | VAL | LEU | TRP | ASP | GLU | ASN | ASN | MET | SER | ||||
| 8 | GLU | TYR | LEU | THR | ASN | HIS | ALA | LYS | TYR | ILE | ||||
| 9 | PRO | GLY | THR | LYS | MET | ALA | PHE | GLY | GLY | LEU | ||||
| 10 | LYS | LYS | GLU | LYS | ASP | ARG | ASN | ASP | LEU | ILE | ||||
| 11 | THR | TYR | LEU | LYS | LYS | ALA | THR | GLU |
Entity 2, HEC - C34 H34 Fe N4 O4 - 618.503 Da.
| 1 | HEC |
Samples:
sample_1: Iso-1-cytochrome 1 mM; H2O 90%; D2O 10%
sample_2: Iso-1-cytochrome 1 mM; D2O 100%
sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | anisotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Varian INOVA 600 MHz