BMRB Entry 15843
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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/BMR15843
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Title: Solution NMR Structure of the N-Terminal Domain of Protein ECA1580 from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR156A
Deposition date: 2008-06-30 Original release date: 2009-02-11
Authors: Mills, Jeffrey; Eletsky, Alex; Zhang, Qi; Lee, Dan; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Lui, Jinfeng; Everett, John; Swapna, G. V. T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas
Citation: Mills, Jeffrey; Eletsky, Alex; Zhang, Qi; Lee, Dan; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Lui, Jinfeng; Everett, John; Swapna, G. V. T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Szyperski, Thomas. "NMR Structure of the Putative Cold Shock Protein from Erwinia carotovora: Northeast Structural Genomics Consortium Target EwR156a" Not known ., .-..
Assembly members:
NC, polymer, 74 residues, 8417.637 Da.
Natural source: Common Name: Erwinia carotovora Taxonomy ID: 554 Superkingdom: Bacteria Kingdom: not available Genus/species: Erwinia carotovora
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
NC: MAMNGTITTWFKDKGFGFIK
DENGDNRYFHVIKVANPDLI
KKDAAVTFEPTTNNKGLSAY
AVKVVPLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 297 |
| 15N chemical shifts | 70 |
| 1H chemical shifts | 487 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NC | 1 |
Entities:
Entity 1, NC 74 residues - 8417.637 Da.
| 1 | MET | ALA | MET | ASN | GLY | THR | ILE | THR | THR | TRP | ||||
| 2 | PHE | LYS | ASP | LYS | GLY | PHE | GLY | PHE | ILE | LYS | ||||
| 3 | ASP | GLU | ASN | GLY | ASP | ASN | ARG | TYR | PHE | HIS | ||||
| 4 | VAL | ILE | LYS | VAL | ALA | ASN | PRO | ASP | LEU | ILE | ||||
| 5 | LYS | LYS | ASP | ALA | ALA | VAL | THR | PHE | GLU | PRO | ||||
| 6 | THR | THR | ASN | ASN | LYS | GLY | LEU | SER | ALA | TYR | ||||
| 7 | ALA | VAL | LYS | VAL | VAL | PRO | LEU | GLU | HIS | HIS | ||||
| 8 | HIS | HIS | HIS | HIS |
Samples:
sample_1: NC, [U-100% 13C; U-100% 15N], 1.07 mM; sodium azide 0.02%; DTT 100 mM; calcium chloride 5 mM; sodium chloride 100 mM; MES 20 mM; H2O 95%; D2O, [U-100% 2H], 5%
sample_2: NC5, [U-5% 13C; U-100% 15N], 1.864 mM; sodium azide 0.02%; DTT 100 mM; calcium chloride 5 mM; sodium chloride 100 mM; MES 20 mM; H2O 95%; D2O, [U-100% 2H], 5%
sample_conditions_1: ionic strength: 0.235 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 4,3 D GFT HNNACBCA | sample_1 | isotropic | sample_conditions_1 |
| 4,3 D GFT CABCACONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D HABCABCONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT HCCH COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D simultaneous NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPSCAN, Glaser - processing
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis
TALOS, Cornilescu, Delaglio and Bax - structure solution
CSI, (CSI) Wishart and Sykes - structure solution
CYANA v2.1, Guntert, Mumenthaler and Wuthrich, Herrmann, Guntert and Wuthrich - structure solution
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
Molmol, Koradi, Billeter and Wuthrich - data analysis, refinement
PSVS, Bhattacharya and Montelione - refinement
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
NMR spectrometers:
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAH64001 BAS34842 GAJ89345 GAL47698 |
| EMBL | CAG74485 CBA21960 CBJ47128 CBX81442 CCC32705 |
| GB | ABR77705 ACI09512 ACT12508 ACX88619 ADC57825 |
| REF | WP_001251236 WP_002910657 WP_004090082 WP_004102404 WP_004159066 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts