BMRB Entry 7235
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7235
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Title: Backbone 1H, 15N, and 13C assignments for beta phosphoglucomutase in the open form PubMed: 16990434
Deposition date: 2006-07-13 Original release date: 2006-09-08
Authors: Baxter, Nicola; Waltho, Jonathan
Citation: Baxter, Nicola; Olguin, Luis; Golicnik, Marko; Feng, Guoqiang; Hounslow, Andrea; Bermel, Wolfgang; Blackburn, G.; Hollfelder, Florian; Waltho, Jonathan; Williams, Nicholas. "A trojan horse transition state analogue generated by MgF3- formation in an enzyme active site" Proc. Natl. Acad. Sci. U.S.A. 103, 14732-14737 (2006).
Assembly members:
beta phosphoglucomutase, polymer, 221 residues, 25000 Da.
MG, non-polymer, 24.305 Da.
Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1360 Superkingdom: Eubacteria Kingdom: Metazoa Genus/species: Lactococcus lactis
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
beta phosphoglucomutase: MFKAVLFDLDGVITDTAEYH
FRAWKALAEEIGINGVDRQF
NEQLKGVSREDSLQKILDLA
DKKVSAEEFKELAKRKNDNY
VKMIQDVSPADVYPGILQLL
KDLRSNKIKIALASASKNGP
FLLERMNLTGYFDAIADPAE
VAASKPAPDIFIAAAHAVGV
APSESIGLEDSQAGIQAIKD
SGALPIGVGRPEDLGDDIVI
VPDTSHYTLEFLKEVWLQKQ
K
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 568 |
| 15N chemical shifts | 180 |
| 1H chemical shifts | 180 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | beta phosphoglucomutase | 1 |
| 2 | magnesium ion | 2 |
Entities:
Entity 1, beta phosphoglucomutase 221 residues - 25000 Da.
| 1 | MET | PHE | LYS | ALA | VAL | LEU | PHE | ASP | LEU | ASP | ||||
| 2 | GLY | VAL | ILE | THR | ASP | THR | ALA | GLU | TYR | HIS | ||||
| 3 | PHE | ARG | ALA | TRP | LYS | ALA | LEU | ALA | GLU | GLU | ||||
| 4 | ILE | GLY | ILE | ASN | GLY | VAL | ASP | ARG | GLN | PHE | ||||
| 5 | ASN | GLU | GLN | LEU | LYS | GLY | VAL | SER | ARG | GLU | ||||
| 6 | ASP | SER | LEU | GLN | LYS | ILE | LEU | ASP | LEU | ALA | ||||
| 7 | ASP | LYS | LYS | VAL | SER | ALA | GLU | GLU | PHE | LYS | ||||
| 8 | GLU | LEU | ALA | LYS | ARG | LYS | ASN | ASP | ASN | TYR | ||||
| 9 | VAL | LYS | MET | ILE | GLN | ASP | VAL | SER | PRO | ALA | ||||
| 10 | ASP | VAL | TYR | PRO | GLY | ILE | LEU | GLN | LEU | LEU | ||||
| 11 | LYS | ASP | LEU | ARG | SER | ASN | LYS | ILE | LYS | ILE | ||||
| 12 | ALA | LEU | ALA | SER | ALA | SER | LYS | ASN | GLY | PRO | ||||
| 13 | PHE | LEU | LEU | GLU | ARG | MET | ASN | LEU | THR | GLY | ||||
| 14 | TYR | PHE | ASP | ALA | ILE | ALA | ASP | PRO | ALA | GLU | ||||
| 15 | VAL | ALA | ALA | SER | LYS | PRO | ALA | PRO | ASP | ILE | ||||
| 16 | PHE | ILE | ALA | ALA | ALA | HIS | ALA | VAL | GLY | VAL | ||||
| 17 | ALA | PRO | SER | GLU | SER | ILE | GLY | LEU | GLU | ASP | ||||
| 18 | SER | GLN | ALA | GLY | ILE | GLN | ALA | ILE | LYS | ASP | ||||
| 19 | SER | GLY | ALA | LEU | PRO | ILE | GLY | VAL | GLY | ARG | ||||
| 20 | PRO | GLU | ASP | LEU | GLY | ASP | ASP | ILE | VAL | ILE | ||||
| 21 | VAL | PRO | ASP | THR | SER | HIS | TYR | THR | LEU | GLU | ||||
| 22 | PHE | LEU | LYS | GLU | VAL | TRP | LEU | GLN | LYS | GLN | ||||
| 23 | LYS |
Entity 2, magnesium ion - Mg - 24.305 Da.
| 1 | MG |
Samples:
sample_open_2H15N13C: beta phosphoglucomutase open conformation, [U-2H; U-15N; U-13C], 1 ± 0.2 mM; magnesium chloride 5 ± 0.2 mM; ammonium fluoride 10 ± 0.2 mM; sodium azide 2 ± 0.2 mM; deuterium oxide 15 ± 1 %; protease inhibitor 1 times; potassium HEPES 50 ± 2 mM
conditions_1: pH: 7.2; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N TROSY | sample_open_2H15N13C | not available | conditions_1 |
| TROSY ct-HNCA | sample_open_2H15N13C | not available | conditions_1 |
| TROSY ct-HN(CO)CA | sample_open_2H15N13C | not available | conditions_1 |
| TROSY HN(CA)CB | sample_open_2H15N13C | not available | conditions_1 |
| TROSY HN(COCA)CB | sample_open_2H15N13C | not available | conditions_1 |
| TROSY HN(CA)CO | sample_open_2H15N13C | not available | conditions_1 |
| TROSY HNCO | sample_open_2H15N13C | not available | conditions_1 |
| {19F}1H,15N-HSQC NOE difference | sample_open_2H15N13C | not available | conditions_1 |
| 19F 1D | sample_open_2H15N13C | not available | conditions_1 |
Software:
xwinnmr, Bruker BioSpin Ltd - data acquisition
FELIX v2004, Accelrys Inc - data analysis, data processing
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts