BMRB Entry 6070
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6070
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Title: Solution Structure of Endothelin-1 with its C-terminal Folding PubMed: 15070353
Deposition date: 2003-01-08 Original release date: 2004-04-09
Authors: Takashima, Hiroyuki; Mimura, Norio; Ohkubo, Tadayasu; Yoshida, Takuya; Tamaoki, Haruhiko; Kobayashi, Yuji
Citation: Takashima, Hiroyuki; Mimura, Norio; Ohkubo, Tadayasu; Yoshida, Takuya; Tamaoki, Haruhiko; Kobayashi, Yuji. "Distributed Computing and NMR Constraint-Based High-Resolution Structure Determination, Applied for Bioactive Peptide Endothelin-1 to Determine C-terminal Folding" J. Am. Chem. Soc. 124, 4504-4505 (2004).
Assembly members:
Endothelin-1, polymer, 21 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: chemical synthesis
Entity Sequences (FASTA):
Endothelin-1: CSCSSLMDKECVYFCHLDII
W
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 137 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ET-1 | 1 |
Entities:
Entity 1, ET-1 21 residues - Formula weight is not available
| 1 | CYS | SER | CYS | SER | SER | LEU | MET | ASP | LYS | GLU | ||||
| 2 | CYS | VAL | TYR | PHE | CYS | HIS | LEU | ASP | ILE | ILE | ||||
| 3 | TRP |
Samples:
sample_1: Endothelin-1 2.5 mM; acetic acid 5%
sample_cond_1: pH: 3; pressure: 1 atm; temperature: 297.7 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
Software:
XPLOR-NIH v2.0.6 - refinement, structure solution
NMR spectrometers:
- Bruker AMX 600 MHz
Related Database Links:
| BMRB | 1728 1867 193 194 2262 2263 |
| PDB | |
| DBJ | BAA07830 BAA11109 BAB86360 BAC30702 BAD02920 |
| EMBL | CAA30296 CAA36954 CAA37117 CAA42555 CAA68718 |
| GenBank | AAA41129 AAA52338 AAA52339 AAA52407 AAA97608 |
| PRF | 1405327A 1904245A 2206384A |
| REF | NP_001002956 NP_001009810 NP_001090567 NP_001095166 NP_001121271 |
| SWISS-PROT | P05305 P09558 P13206 P17322 P22387 |