BMRB Entry 17481
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17481
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Title: Solution NMR Structure of Q5HLI9 from Staphylococcus epidermidis, Northeast Structural Genomics Consortium Target SeR147
Deposition date: 2011-02-22 Original release date: 2011-05-02
Authors: Mills, Jeffrey; Eletsky, Alex; Lee, Hsiau-Wei; Lee, Dan; Ciccosanti, Colleen; Sapin, Ari; Mao, Lei; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Prestegard, James; Montelione, Gaetano; Szyperski, Thomas
Citation: Mills, Jeffrey; Eletsky, Alex; Lee, Hsiau-Wei; Lee, Dan; Ciccosanti, Colleen; Sapin, Ari; Mao, Lei; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Prestegard, James; Montelione, Gaetano; Szyperski, Thomas. "Northeast Structural Genomics Consortium Target SeR147" To be published ., .-..
Assembly members:
SeR147, polymer, 164 residues, 18778.254 Da.
Natural source: Common Name: Staphylococcus epidermidis Taxonomy ID: 1282 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus epidermidis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SeR147: MTIEKKKNKIIFTRTFSAPI
NKVFDAYTKRELFEQWFHPQ
DASVTVYDFNATKGGSAFYA
IQAPQMISYTIAEYLQVDAP
YYIEYLDYFATSKGEKDTSM
PGMHITLNFEEVKGKTTVTS
TSTFPTESAAQQAIDMGVET
GMNSTLNQLEKLLNQKLEHH
HHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 634 |
| 15N chemical shifts | 155 |
| 1H chemical shifts | 1046 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SeR147 | 1 |
Entities:
Entity 1, SeR147 164 residues - 18778.254 Da.
| 1 | MET | THR | ILE | GLU | LYS | LYS | LYS | ASN | LYS | ILE | ||||
| 2 | ILE | PHE | THR | ARG | THR | PHE | SER | ALA | PRO | ILE | ||||
| 3 | ASN | LYS | VAL | PHE | ASP | ALA | TYR | THR | LYS | ARG | ||||
| 4 | GLU | LEU | PHE | GLU | GLN | TRP | PHE | HIS | PRO | GLN | ||||
| 5 | ASP | ALA | SER | VAL | THR | VAL | TYR | ASP | PHE | ASN | ||||
| 6 | ALA | THR | LYS | GLY | GLY | SER | ALA | PHE | TYR | ALA | ||||
| 7 | ILE | GLN | ALA | PRO | GLN | MET | ILE | SER | TYR | THR | ||||
| 8 | ILE | ALA | GLU | TYR | LEU | GLN | VAL | ASP | ALA | PRO | ||||
| 9 | TYR | TYR | ILE | GLU | TYR | LEU | ASP | TYR | PHE | ALA | ||||
| 10 | THR | SER | LYS | GLY | GLU | LYS | ASP | THR | SER | MET | ||||
| 11 | PRO | GLY | MET | HIS | ILE | THR | LEU | ASN | PHE | GLU | ||||
| 12 | GLU | VAL | LYS | GLY | LYS | THR | THR | VAL | THR | SER | ||||
| 13 | THR | SER | THR | PHE | PRO | THR | GLU | SER | ALA | ALA | ||||
| 14 | GLN | GLN | ALA | ILE | ASP | MET | GLY | VAL | GLU | THR | ||||
| 15 | GLY | MET | ASN | SER | THR | LEU | ASN | GLN | LEU | GLU | ||||
| 16 | LYS | LEU | LEU | ASN | GLN | LYS | LEU | GLU | HIS | HIS | ||||
| 17 | HIS | HIS | HIS | HIS |
Samples:
NC: SeR147, [U-100% 13C; U-100% 15N], 0.6 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; H2O 95%; D2O 5%
NC5: SeR147, [U-5% 13C; U-100% 15N], 0.62 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; H2O 95%; D2O 5%
NC5aniso: SeR147, [U-5% 13C; U-100% 15N], 0.41 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM; phage 13.2 mg/mL; H2O 95%; D2O 5%
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | NC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | NC | isotropic | sample_conditions_1 |
| 3D HNCO | NC | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | NC | isotropic | sample_conditions_1 |
| 3D HNCACB | NC | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | NC | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | NC | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | NC | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | NC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | NC5 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | NC5aniso | anisotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinement, structure solution
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis
PROSA, Guntert - processing
CARA, Keller et al. - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
VNMRJ, Varian - collection
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker Avance 900 MHz
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| EMBL | CDM14527 |
| GB | AAO05627 AAW52927 AIR83241 AJP25447 EES35074 |
| REF | NP_765541 WP_001831546 WP_001832905 WP_002438297 WP_002447189 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts