BMRB Entry 16451
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16451
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Marston, James; Cliff, Matthew; Reed, Michelle; Blackburn, G. Michael; Hounslow, Andrea; Craven, C. Jeremy; Waltho, Jonathan. "Structural Tightening and Interdomain Communication in the Catalytic Cycle of Phosphoglycerate Kinase." J. Mol. Biol. 396, 345-360 (2010).
PubMed: 19944703
Assembly members:
PGK, polymer, 394 residues, Formula weight is not available
ADP, non-polymer, 427.201 Da.
MG, non-polymer, 24.305 Da.
Natural source: Common Name: Geobacillus stearothermophilus Taxonomy ID: 1422 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacillus stearothermophilus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pKK223-3
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 701 |
| 15N chemical shifts | 355 |
| 1H chemical shifts | 355 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PGK | 1 |
| 2 | Adenosine Diphosphate | 2 |
| 3 | Magnesium(+2) cation | 3 |
Entities:
Entity 1, PGK 394 residues - Formula weight is not available
| 1 | MET | ASN | LYS | LYS | THR | ILE | ARG | ASP | VAL | ASP | ||||
| 2 | VAL | ARG | GLY | LYS | ARG | VAL | PHE | CYS | ARG | VAL | ||||
| 3 | ASP | PHE | ASN | VAL | PRO | MET | GLU | GLN | GLY | ALA | ||||
| 4 | ILE | THR | ASP | ASP | THR | ARG | ILE | ARG | ALA | ALA | ||||
| 5 | LEU | PRO | THR | ILE | ARG | TYR | LEU | ILE | GLU | HIS | ||||
| 6 | GLY | ALA | LYS | VAL | ILE | LEU | ALA | SER | HIS | LEU | ||||
| 7 | GLY | ARG | PRO | LYS | GLY | LYS | VAL | VAL | GLU | GLU | ||||
| 8 | LEU | ARG | LEU | ASP | ALA | VAL | ALA | LYS | ARG | LEU | ||||
| 9 | GLY | GLU | LEU | LEU | GLU | ARG | PRO | VAL | ALA | LYS | ||||
| 10 | THR | ASN | GLU | ALA | VAL | GLY | ASP | GLU | VAL | LYS | ||||
| 11 | ALA | ALA | VAL | ASP | ARG | LEU | ASN | GLU | GLY | ASP | ||||
| 12 | VAL | LEU | LEU | LEU | GLU | ASN | VAL | ARG | PHE | TYR | ||||
| 13 | PRO | GLY | GLU | GLU | LYS | ASN | ASP | PRO | GLU | LEU | ||||
| 14 | ALA | LYS | ALA | PHE | ALA | GLU | LEU | ALA | ASP | LEU | ||||
| 15 | TYR | VAL | ASN | ASP | ALA | PHE | GLY | ALA | ALA | HIS | ||||
| 16 | ARG | ALA | HIS | ALA | SER | THR | GLU | GLY | ILE | ALA | ||||
| 17 | HIS | TYR | LEU | PRO | ALA | VAL | ALA | GLY | PHE | LEU | ||||
| 18 | MET | GLU | LYS | GLU | LEU | GLU | VAL | LEU | GLY | LYS | ||||
| 19 | ALA | LEU | SER | ASN | PRO | ASP | ARG | PRO | PHE | THR | ||||
| 20 | ALA | ILE | ILE | GLY | GLY | ALA | LYS | VAL | LYS | ASP | ||||
| 21 | LYS | ILE | GLY | VAL | ILE | ASP | ASN | LEU | LEU | GLU | ||||
| 22 | LYS | VAL | ASP | ASN | LEU | ILE | ILE | GLY | GLY | GLY | ||||
| 23 | LEU | ALA | TYR | THR | PHE | VAL | LYS | ALA | LEU | GLY | ||||
| 24 | HIS | ASP | VAL | GLY | LYS | SER | LEU | LEU | GLU | GLU | ||||
| 25 | ASP | LYS | ILE | GLU | LEU | ALA | LYS | SER | PHE | MET | ||||
| 26 | GLU | LYS | ALA | LYS | GLU | LYS | GLY | VAL | ARG | PHE | ||||
| 27 | TYR | MET | PRO | VAL | ASP | VAL | VAL | VAL | ALA | ASP | ||||
| 28 | ARG | PHE | ALA | ASN | ASP | ALA | ASN | THR | LYS | VAL | ||||
| 29 | VAL | PRO | ILE | ASP | ALA | ILE | PRO | ALA | ASP | TYR | ||||
| 30 | SER | ALA | LEU | ASP | ILE | GLY | PRO | LYS | THR | ARG | ||||
| 31 | GLU | LEU | TYR | ARG | ASP | VAL | ILE | ARG | GLU | SER | ||||
| 32 | LYS | LEU | VAL | VAL | TRP | ASN | GLY | PRO | MET | GLY | ||||
| 33 | VAL | PHE | GLU | MET | ASP | ALA | PHE | ALA | HIS | GLY | ||||
| 34 | THR | LYS | ALA | ILE | ALA | GLU | ALA | LEU | ALA | GLU | ||||
| 35 | ALA | LEU | ASP | THR | TYR | SER | VAL | ILE | GLY | GLY | ||||
| 36 | GLY | ASP | SER | ALA | ALA | ALA | VAL | GLU | LYS | PHE | ||||
| 37 | GLY | LEU | ALA | ASP | LYS | MET | ASP | HIS | ILE | SER | ||||
| 38 | THR | GLY | GLY | GLY | ALA | SER | LEU | GLU | PHE | MET | ||||
| 39 | GLU | GLY | LYS | GLN | LEU | PRO | GLY | VAL | VAL | ALA | ||||
| 40 | LEU | GLU | ASP | LYS |
Entity 2, Adenosine Diphosphate - C10 H15 N5 O10 P2 - 427.201 Da.
| 1 | ADP |
Entity 3, Magnesium(+2) cation - Mg - 24.305 Da.
| 1 | MG |
Samples:
sample_1: PGK, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; TRIS 20 mM; sodium azide 3 mM; DTT 5 mM; ADP 10 mM; magnesium chloride 20 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 0.05 M; pH: 7.5; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D TROSY ct-HNCA | sample_1 | isotropic | sample_conditions_1 |
| ct-HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| HN(CA)CB | sample_1 | isotropic | sample_conditions_1 |
| HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
Software:
FELIX, Accelrys Software Inc. - all tasks
NMR spectrometers:
- Bruker DRX 600 MHz
Related Database Links:
| BMRB | 16447 16464 17115 |
| PDB | |
| DBJ | BAD77342 GAD14836 GAJ57507 |
| EMBL | CAA41093 |
| GB | ACX79693 ADI28008 ADU95522 AEV20724 AGE23620 |
| REF | WP_011232527 WP_013146368 WP_013524587 WP_015375782 WP_023633686 |
| SP | P18912 Q5KVE4 |
| AlphaFold | P18912 Q5KVE4 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks