BMRB Entry 5845
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR5845
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Title: Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. aureus protein MW2441 / SACOL2532. Northeast Structural Genomics Target ZR31.
Deposition date: 2003-06-25 Original release date: 2004-10-10
Authors: Cort, John; Acton, Thomas; Ma, Li-Chung; Xiao, Rong; Montelione, Gaetano; Kennedy, Michael
Citation: Cort, John; Acton, Thomas; Ma, Li-Chung; Xiao, Rong; Montelione, Gaetano; Kennedy, Michael. "Backbone and side chain 1H, 13C, and 15N chemical shift assignments for S. aureus protein MW2441 / SACOL2532. Northeast Structural Genomics Target ZR31." The BMRB entry is the only known published source for the data..
Assembly members:
MW2441, polymer, 102 residues, 11613 Da.
Natural source: Common Name: S. aureus Taxonomy ID: 1280 Superkingdom: Eubacteria Kingdom: Fungi Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MW2441: MSNLEIKQGENKFYIGDDEN
NALAEITYRFVDNNEINIDH
TGVSDELGGQGVGKKLLKAV
VEHARENNLKIIASCSFAKH
MLEKEDSYQDVYLGLEHHHH
HH
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 656 |
| 13C chemical shifts | 417 |
| 15N chemical shifts | 110 |
| coupling constants | 65 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MW2441 | 1 |
Entities:
Entity 1, MW2441 102 residues - 11613 Da.
| 1 | MET | SER | ASN | LEU | GLU | ILE | LYS | GLN | GLY | GLU | ||||
| 2 | ASN | LYS | PHE | TYR | ILE | GLY | ASP | ASP | GLU | ASN | ||||
| 3 | ASN | ALA | LEU | ALA | GLU | ILE | THR | TYR | ARG | PHE | ||||
| 4 | VAL | ASP | ASN | ASN | GLU | ILE | ASN | ILE | ASP | HIS | ||||
| 5 | THR | GLY | VAL | SER | ASP | GLU | LEU | GLY | GLY | GLN | ||||
| 6 | GLY | VAL | GLY | LYS | LYS | LEU | LEU | LYS | ALA | VAL | ||||
| 7 | VAL | GLU | HIS | ALA | ARG | GLU | ASN | ASN | LEU | LYS | ||||
| 8 | ILE | ILE | ALA | SER | CYS | SER | PHE | ALA | LYS | HIS | ||||
| 9 | MET | LEU | GLU | LYS | GLU | ASP | SER | TYR | GLN | ASP | ||||
| 10 | VAL | TYR | LEU | GLY | LEU | GLU | HIS | HIS | HIS | HIS | ||||
| 11 | HIS | HIS |
Samples:
sample_1: MW2441, [U-13C; U-15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 5 mM; CaCl2 5 mM; NaN3 0.02 w/v %; D2O 5 v/v %
sample_2: MW2441, [U-5% C13; U-99% N15], 0.4 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02 w/v %; D2O 5 v/v %
sample_3: MW2441, [U-13C; U-15N], 1 mM; MES 20 mM; NaCl 100 mM; DTT 10 mM; CaCl2 5 mM; NaN3 0.02 w/v %; D2O 99 v/v %
Ex-cond_1: pH: 6.5; temperature: 293 K; ionic strength: 0.12 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N-HSQC | not available | not available | Ex-cond_1 |
| 13C-HSQC (aliph) | not available | not available | Ex-cond_1 |
| HNCACB | not available | not available | Ex-cond_1 |
| CBCA(CO)NH | not available | not available | Ex-cond_1 |
| HNCO | not available | not available | Ex-cond_1 |
| HCCH-TOCSY | not available | not available | Ex-cond_1 |
| HCCH-COSY | not available | not available | Ex-cond_1 |
| HCC-TOCSY-NNH | not available | not available | Ex-cond_1 |
| CCC-TOCSY-NNH | not available | not available | Ex-cond_1 |
| HBCBCGCDHD-Aro | not available | not available | Ex-cond_1 |
| HBCBCGCDCEHE-Aro | not available | not available | Ex-cond_1 |
| 13C-HSQC (arom) | not available | not available | Ex-cond_1 |
| 13C-HSQC (alpha) | not available | not available | Ex-cond_1 |
| HNHA | not available | not available | Ex-cond_1 |
Software:
Felix v97 - data processing
NMR spectrometers:
- INOVA Varian 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAB43612 BAB58683 BAF68691 BAF79388 |
| EMBL | CBI50506 CBX35702 CCW22842 CDP41544 CDP44508 |
| GB | AAW37309 ABD21008 ABD31829 ABQ50321 ABR53419 |
| REF | NP_373045 NP_375633 WP_000067113 WP_000067115 WP_000067116 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts