BMRB Entry 5969
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5969
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Title: Solution Structure of holo-Neocarzinostatin PubMed: 15640161
Deposition date: 2003-10-13 Original release date: 2005-05-03
Authors: Takashima, Hiroyuki; Ishino, Tetsuya; Yoshida, Takuya; Hasuda, Katsumi; Ohkubo, Tadayasu; Kobayashi, Yuji
Citation: Takashima, Hiroyuki; Yoshida, Takuya; Ishino, Tetsuya; Hasuda, Katsumi; Ohkubo, Tadayasu; Kobayashi, Yuji. "Solution NMR structure investigation for releasing mechanism of neocarzinostatin chromophore from holoprotein." J. Biol. Chem. 280, 11340-11346 (2005).
Assembly members:
Neocarzinostatin, polymer, 113 residues, Formula weight is not available
CHR, non-polymer, 659.636 Da.
Natural source: Common Name: Streptomyces carzinostaticus Taxonomy ID: 1897 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces carzinostaticus
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Neocarzinostatin: AAPTATVTPSSGLSDGTVVK
VAGAGLQAGTAYDVGQCAWV
DTGVLACNPADFSSVTADAN
GSASTSLTVRRSFEGFLFDG
TRWGTVDCTTAACQVGLSDA
AGNGPEGVAISFN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 179 |
| 15N chemical shifts | 115 |
| 1H chemical shifts | 682 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Neocarzinostatin | 1 |
| 2 | Neocarzinostatin chromophore | 2 |
Entities:
Entity 1, Neocarzinostatin 113 residues - Formula weight is not available
| 1 | ALA | ALA | PRO | THR | ALA | THR | VAL | THR | PRO | SER | ||||
| 2 | SER | GLY | LEU | SER | ASP | GLY | THR | VAL | VAL | LYS | ||||
| 3 | VAL | ALA | GLY | ALA | GLY | LEU | GLN | ALA | GLY | THR | ||||
| 4 | ALA | TYR | ASP | VAL | GLY | GLN | CYS | ALA | TRP | VAL | ||||
| 5 | ASP | THR | GLY | VAL | LEU | ALA | CYS | ASN | PRO | ALA | ||||
| 6 | ASP | PHE | SER | SER | VAL | THR | ALA | ASP | ALA | ASN | ||||
| 7 | GLY | SER | ALA | SER | THR | SER | LEU | THR | VAL | ARG | ||||
| 8 | ARG | SER | PHE | GLU | GLY | PHE | LEU | PHE | ASP | GLY | ||||
| 9 | THR | ARG | TRP | GLY | THR | VAL | ASP | CYS | THR | THR | ||||
| 10 | ALA | ALA | CYS | GLN | VAL | GLY | LEU | SER | ASP | ALA | ||||
| 11 | ALA | GLY | ASN | GLY | PRO | GLU | GLY | VAL | ALA | ILE | ||||
| 12 | SER | PHE | ASN |
Entity 2, Neocarzinostatin chromophore - C35 H33 N O12 - 659.636 Da.
| 1 | CHR |
Samples:
sample_1: Neocarzinostatin, [U-90% 15N; U-90% 13C], 2.5 mM; NEOCARZINOSTATIN-CHROMOPHORE, [U-10% 13C], 2.5 mM
sample_cond_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | sample_1 | not available | sample_cond_1 |
| 3D 13C-separated NOESY | sample_1 | not available | sample_cond_1 |
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 3D HNCA | sample_1 | not available | sample_cond_1 |
Software:
X-PLOR vNIH 2.0.6 - refinement
NMR spectrometers:
- Varian Unity 750 MHz
- Bruker AMX 600 MHz
Related Database Links:
| BMRB | 1766 5343 5344 6888 695 |
| PDB | |
| DBJ | BAA01764 BAB83894 BAB83895 BAB86365 BAB86366 |
| GenBank | AAB28103 AAM77994 |
| SWISS-PROT | P0A3R9 P0A3S0 |
Download simulated HSQC data in one of the following formats:
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