BMRB Entry 17218
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17218
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Citation: Eisenmesser, Elan; Bosco, Daryl; Akke, Mikael; Kern, Dorothee. "Enzyme Dynamics During Catalysis" Science 295, 1520-1523 (2002).
PubMed: 11859194
Assembly members:
CypA, polymer, 164 residues, Formula weight is not available
peptide, polymer, 6 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: ns
- chemical rates
| Data type | Count |
| binding constants | 8 |
| kinetic rates | 7 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CypA | 1 |
| 2 | peptide | 2 |
Entities:
Entity 1, CypA 164 residues - Formula weight is not available
| 1 | VAL | ASN | PRO | THR | VAL | PHE | PHE | ASP | ILE | ALA | ||||
| 2 | VAL | ASP | GLY | GLU | PRO | LEU | GLY | ARG | VAL | SER | ||||
| 3 | PHE | GLU | LEU | PHE | ALA | ASP | LYS | VAL | PRO | LYS | ||||
| 4 | THR | ALA | GLU | ASN | PHE | ARG | ALA | LEU | SER | THR | ||||
| 5 | GLY | GLU | LYS | GLY | PHE | GLY | TYR | LYS | GLY | SER | ||||
| 6 | CYS | PHE | HIS | ARG | ILE | ILE | PRO | GLY | PHE | MET | ||||
| 7 | CYS | GLN | GLY | GLY | ASP | PHE | THR | ARG | HIS | ASN | ||||
| 8 | GLY | THR | GLY | GLY | LYS | SER | ILE | TYR | GLY | GLU | ||||
| 9 | LYS | PHE | GLU | ASP | GLU | ASN | PHE | ILE | LEU | LYS | ||||
| 10 | HIS | THR | GLY | PRO | GLY | ILE | LEU | SER | MET | ALA | ||||
| 11 | ASN | ALA | GLY | PRO | ASN | THR | ASN | GLY | SER | GLN | ||||
| 12 | PHE | PHE | ILE | CYS | THR | ALA | LYS | THR | GLU | TRP | ||||
| 13 | LEU | ASP | GLY | LYS | HIS | VAL | VAL | PHE | GLY | LYS | ||||
| 14 | VAL | LYS | GLU | GLY | MET | ASN | ILE | VAL | GLU | ALA | ||||
| 15 | MET | GLU | ARG | PHE | GLY | SER | ARG | ASN | GLY | LYS | ||||
| 16 | THR | SER | LYS | LYS | ILE | THR | ILE | ALA | ASP | CYS | ||||
| 17 | GLY | GLN | LEU | GLU |
Entity 2, peptide 6 residues - Formula weight is not available
the first X is SIN and the other is NIT
| 1 | SIN | ALA | PHE | PRO | PHE | NIT |
Samples:
sample_1: CypA 0.43 mM; sodium phosphate buffer 50 mM; DTT 3 mM; peptide0.04 – 2.6 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.5; pressure: ambient atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
Mathematica v4.0, Wolfram Research, Champaign, IL - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| BMRB | 2208 25104 25337 25502 |
| PDB | |
| DBJ | BAE01146 BAE30323 BAE87660 BAF82774 BAF83540 |
| EMBL | CAA34961 CAA37039 CAA68264 CAG32988 CAH91833 |
| GB | AAB81959 AAB81960 AAB81961 AAF69142 AAF78600 |
| PIR | CSHYAC |
| PRF | 1503232A |
| REF | NP_001009370 NP_001027981 NP_001126060 NP_001270275 NP_001271703 |
| SP | P14851 P62935 P62936 P62937 P62938 |
| TPG | DAA25853 DAA25854 |
| AlphaFold | P14851 P62935 P62936 P62937 P62938 |