BMRB Entry 19218
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19218
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Title: Solution structure of yeast dithiol glutaredoxin Grx8 PubMed: 24611845
Deposition date: 2013-05-02 Original release date: 2013-05-28
Authors: Tang, Yajun; Zhang, Jiahai; Zhou, Congzhao; Shi, Yunyu
Citation: Tang, Yajun; Zhang, Jiahai; Yu, Jiang; Xu, Ling; Wu, Jihui; Zhou, Cong-Zhao; Shi, Yunyu. "Structure-guided activity enhancement and catalytic mechanism of yeast grx8." Biochemistry 53, 2185-2196 (2014).
Assembly members:
Grx8, polymer, 109 residues, 12534.485 Da.
Natural source: Common Name: Baker's Yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Grx8: MSAFVTKAEEMIKSHPYFQL
SASWCPDCVYANSIWNKLNV
QDKVFVFDIGSLPRNEQEKW
RIAFQKVVGSRNLPTIVVNG
KFWGTESQLHRFEAKGTLEE
ELTKIGLLP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 89 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 218 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Grx8 | 1 |
Entities:
Entity 1, Grx8 109 residues - 12534.485 Da.
| 1 | MET | SER | ALA | PHE | VAL | THR | LYS | ALA | GLU | GLU | ||||
| 2 | MET | ILE | LYS | SER | HIS | PRO | TYR | PHE | GLN | LEU | ||||
| 3 | SER | ALA | SER | TRP | CYS | PRO | ASP | CYS | VAL | TYR | ||||
| 4 | ALA | ASN | SER | ILE | TRP | ASN | LYS | LEU | ASN | VAL | ||||
| 5 | GLN | ASP | LYS | VAL | PHE | VAL | PHE | ASP | ILE | GLY | ||||
| 6 | SER | LEU | PRO | ARG | ASN | GLU | GLN | GLU | LYS | TRP | ||||
| 7 | ARG | ILE | ALA | PHE | GLN | LYS | VAL | VAL | GLY | SER | ||||
| 8 | ARG | ASN | LEU | PRO | THR | ILE | VAL | VAL | ASN | GLY | ||||
| 9 | LYS | PHE | TRP | GLY | THR | GLU | SER | GLN | LEU | HIS | ||||
| 10 | ARG | PHE | GLU | ALA | LYS | GLY | THR | LEU | GLU | GLU | ||||
| 11 | GLU | LEU | THR | LYS | ILE | GLY | LEU | LEU | PRO |
Samples:
sample_1: Grx8 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 2 mM; H2O 90%; D2O 10%
sample_2: Grx8 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 2 mM; D2O 100%
sample_conditions_1: pH: 5.5; pressure: 1 Pa; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
SPARKY, Goddard - chemical shift assignment, chemical shift calculation, peak picking
ProcheckNMR, Laskowski and MacArthur - refinement
NMR spectrometers:
- Bruker DMX 600 MHz
Related Database Links:
| PDB | |
| DBJ | GAA25226 |
| EMBL | CAY81589 |
| GB | AAB67570 AAS56547 AHY78720 AJP40497 AJV46402 |
| REF | NP_013468 |
| SP | Q05926 |
| TPG | DAA09669 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts