BMRB Entry 4722
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4722
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Citation: Liu, Qin; Li, Yue; Wu, Yan; Yan, Honggao. "Letter to the Editor:
1H, 13C and 15N resonance assignments of Aquifex aeolicus shikimate
kinase in complex with the substrate shikimate" J. Biomol. NMR 17, 277-278 (2000).
Assembly members:
Shikimate Kinase, polymer, 168 residues, Formula weight is not available
SKM, non-polymer, 174.151 Da.
Natural source: Common Name: aquifex aeolicus Taxonomy ID: 63363 Superkingdom: Eubacteria Kingdom: not available Genus/species: Aquifex aeolicus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Shikimate Kinase: MRIYLIGFMCSGKSTVGSLL
SRSLNIPFYDVDEEVQKREG
LSIPQIFEKKGEAYFRKLEF
EVLKDLSEKENVVISTGGGL
GANEEALNFMKSRGTTVFID
IPFEVFLERCKDSKERPLLK
RPLDEIKNLFEERRKIYSKA
DIKVKGEKPPEEVVKEILLS
LEGNALGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 694 |
| 15N chemical shifts | 168 |
| 1H chemical shifts | 1158 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SK | 1 |
| 2 | Shikimic Acid | 2 |
Entities:
Entity 1, SK 168 residues - Formula weight is not available
| 1 | MET | ARG | ILE | TYR | LEU | ILE | GLY | PHE | MET | CYS | ||||
| 2 | SER | GLY | LYS | SER | THR | VAL | GLY | SER | LEU | LEU | ||||
| 3 | SER | ARG | SER | LEU | ASN | ILE | PRO | PHE | TYR | ASP | ||||
| 4 | VAL | ASP | GLU | GLU | VAL | GLN | LYS | ARG | GLU | GLY | ||||
| 5 | LEU | SER | ILE | PRO | GLN | ILE | PHE | GLU | LYS | LYS | ||||
| 6 | GLY | GLU | ALA | TYR | PHE | ARG | LYS | LEU | GLU | PHE | ||||
| 7 | GLU | VAL | LEU | LYS | ASP | LEU | SER | GLU | LYS | GLU | ||||
| 8 | ASN | VAL | VAL | ILE | SER | THR | GLY | GLY | GLY | LEU | ||||
| 9 | GLY | ALA | ASN | GLU | GLU | ALA | LEU | ASN | PHE | MET | ||||
| 10 | LYS | SER | ARG | GLY | THR | THR | VAL | PHE | ILE | ASP | ||||
| 11 | ILE | PRO | PHE | GLU | VAL | PHE | LEU | GLU | ARG | CYS | ||||
| 12 | LYS | ASP | SER | LYS | GLU | ARG | PRO | LEU | LEU | LYS | ||||
| 13 | ARG | PRO | LEU | ASP | GLU | ILE | LYS | ASN | LEU | PHE | ||||
| 14 | GLU | GLU | ARG | ARG | LYS | ILE | TYR | SER | LYS | ALA | ||||
| 15 | ASP | ILE | LYS | VAL | LYS | GLY | GLU | LYS | PRO | PRO | ||||
| 16 | GLU | GLU | VAL | VAL | LYS | GLU | ILE | LEU | LEU | SER | ||||
| 17 | LEU | GLU | GLY | ASN | ALA | LEU | GLY | GLY |
Entity 2, Shikimic Acid - C7 H10 O5 - 174.151 Da.
| 1 | SKM |
Samples:
sample_1: Shikimate Kinase, [U-15N], 2.0 mM; Shikimic Acid 44 mM; sodium phosphate 100 mM; H2O 90%; D2O 10%
sample_2: Shikimate Kinase, [U-15N; U-13C], 2.0 mM; Shikimic Acid 44 mM; sodium phosphate 100 mM; H2O 90%; D2O 10%
EX-cond_1: pH: 6.51; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H,15N-HSQC | not available | not available | EX-cond_1 |
| 15N-edited NOESY | not available | not available | EX-cond_1 |
| 15N-edited TOCSY | 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 |
| HCCH-TOCSY | not available | not available | EX-cond_1 |
Software:
No software information available
NMR spectrometers:
- Varian INOVA 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks