BMRB Entry 17852
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17852
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Title: Backbone 1H, 15N, 13C assignments for beta phosphoglucomutase in a ternary complex with glucose-6-phosphate and BeF3- PubMed: 22505741
Deposition date: 2011-08-10 Original release date: 2012-06-01
Authors: Baxter, Nicola; Griffin, Joanna; Waltho, Jonathan
Citation: Griffin, Joanna; Bowler, Matthew; Baxter, Nicola; Leigh, Katherine; Dannatt, Hugh; Hounslow, Andrea; Blackburn, G. Michael; Webster, Charles Edwin; Cliff, Matthew; Waltho, Jonathan. "Near attack conformers dominate beta-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate" Proc. Natl. Acad. Sci. U. S. A. 109, 6910-6915 (2012).
Assembly members:
beta_phosphoglucomutase, polymer, 221 residues, Formula weight is not available
BEF, non-polymer, 66.007 Da.
MG, non-polymer, 24.305 Da.
BG6, non-polymer, 260.136 Da.
Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1358 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
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 | 634 |
| 15N chemical shifts | 200 |
| 19F chemical shifts | 2 |
| 1H chemical shifts | 200 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | phosphoglucomutase ground state analogue | 1 |
| 2 | trifluoroberyllate_ion | 2 |
| 3 | magnesium_ion | 3 |
| 4 | glucose-6-phosphate | 4 |
Entities:
Entity 1, phosphoglucomutase ground state analogue 221 residues - Formula weight is not available
| 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, trifluoroberyllate_ion - Be F3 - 66.007 Da.
| 1 | BEF |
Entity 3, magnesium_ion - Mg - 24.305 Da.
| 1 | MG |
Entity 4, glucose-6-phosphate - C6 H13 O9 P - 260.136 Da.
| 1 | BG6 |
Samples:
sample_1: beta phosphoglucomutase, [U-13C; U-15N; U-2H], 1 mM; magnesium chloride 5 mM; ammonium fluoride 10 mM; beryllium chloride 5 mM; sodium azide 2 mM; D2O, [U-100% 2H], 10%; potassium HEPES 50 mM; glucose-6-phosphate 10 mM; H2O 90%
sample_2: beta phosphoglucomutase 0.5 mM; magnesium chloride 5 mM; ammonium fluoride 10 mM; beryllium chloride 5 mM; sodium azide 2 mM; D2O, [U-100% 2H], 10%; potassium HEPES 50 mM; glucose-6-phosphate 10 mM; H2O 90%
sample_conditions_1: ionic strength: 70 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY HN(CA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 19F 1D | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection, data analysis
FELIX, Accelrys Software Inc. - chemical shift assignment, data analysis, peak picking, processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 500 MHz
Related Database Links:
| PDB | |
| BMRB | 15467 16409 17851 |
| DBJ | BAL50396 GAM81375 |
| EMBL | CAA94734 CDG03643 CDI46177 |
| GB | AAK04527 ADA64250 ADZ63078 AEE43918 AGY43735 |
| REF | NP_266585 WP_003131530 WP_010905331 WP_012897250 WP_021469610 |
| SP | P71447 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts