BMRB Entry 15203
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15203
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Title: NMR Structure of Clostridium Perfringens Protein CPE0013. Northeast Structural Genomics Target CpR31.
Deposition date: 2007-04-04 Original release date: 2007-05-04
Authors: Ding, Keyang; Ramelot, Theresa; Anklin, Clemens; Wang, Huang; Nwosu, Chioma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael
Citation: Ding, Keyang; Ramelot, Theresa; Wang, Huang; Nwosu, Chioma; Montelione, Gaetano; Kennedy, Michael. "NMR structure of Clostridium perfringens protein CPE0013." . ., .-..
Assembly members:
CPE0013, polymer, 85 residues, 9683.400 Da.
Natural source: Common Name: Clostridium perfringens Taxonomy ID: 1502 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium perfringens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
CPE0013: MHKDIFTSVVRVRGSKKYNV
VPVKSNKPVEISKWIDFSNV
LSRLYVGVPTKSGNVVCKNI
MNTGVDIICTKNLPKDSLEH
HHHHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 347 |
| 15N chemical shifts | 80 |
| 1H chemical shifts | 569 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CPE0013 | 1 |
Entities:
Entity 1, CPE0013 85 residues - 9683.400 Da.
The full sequence is cloned with his-tag LEHHHHHH added at the C-terminal.
| 1 | MET | HIS | LYS | ASP | ILE | PHE | THR | SER | VAL | VAL | ||||
| 2 | ARG | VAL | ARG | GLY | SER | LYS | LYS | TYR | ASN | VAL | ||||
| 3 | VAL | PRO | VAL | LYS | SER | ASN | LYS | PRO | VAL | GLU | ||||
| 4 | ILE | SER | LYS | TRP | ILE | ASP | PHE | SER | ASN | VAL | ||||
| 5 | LEU | SER | ARG | LEU | TYR | VAL | GLY | VAL | PRO | THR | ||||
| 6 | LYS | SER | GLY | ASN | VAL | VAL | CYS | LYS | ASN | ILE | ||||
| 7 | MET | ASN | THR | GLY | VAL | ASP | ILE | ILE | CYS | THR | ||||
| 8 | LYS | ASN | LEU | PRO | LYS | ASP | SER | LEU | GLU | HIS | ||||
| 9 | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: protein, [U-100% 13C; U-100% 15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02%; D2O 5%
sample_2: protein, [U-100% 13C; U-100% 15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02%
sample_3: protein, [U-5% 13C; U-100% 15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02%; D2O 5%
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_3 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
AutoStruct, Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione - data analysis
SPARKY, Goddard - peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| PDB | |
| DBJ | BAB79719 |
| EMBL | CUO73046 |
| GB | ABG83544 ABG87799 ALG47387 EDS80569 EDT15029 |
| REF | WP_003450903 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts