BMRB Entry 11420
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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/BMR11420
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Title: NMR structure of vasoactive intestinal peptide in DPC Micelle PubMed: 21439408
Deposition date: 2010-12-21 Original release date: 2011-05-19
Authors: Umetsu, Yoshitaka; Tenno, Takeshi; Goda, Natsuko; Shirakawa, Masahiro; Ikegami, Takahisa; Hiroaki, Hidekazu
Citation: Umetsu, Yoshitaka; Tenno, Takeshi; Goda, Natsuko; Shirakawa, Masahiro; Ikegami, Takahisa; Hiroaki, Hidekazu. "Structural difference of vasoactive intestinal peptide in two distinct membrane-mimicking environments." Biochim. Biophys. Acta 1814, 724-730 (2011).
Assembly members:
Vasoactive intestinal peptide, polymer, 29 residues, 3389.911 Da.
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
Entity Sequences (FASTA):
Vasoactive intestinal peptide: HSDAVFTDNYTRLRKQMAVK
KYLNSILNG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 127 |
| 15N chemical shifts | 31 |
| 1H chemical shifts | 204 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Vasoactive intestinal peptide | 1 |
Entities:
Entity 1, Vasoactive intestinal peptide 29 residues - 3389.911 Da.
| 1 | HIS | SER | ASP | ALA | VAL | PHE | THR | ASP | ASN | TYR | ||||
| 2 | THR | ARG | LEU | ARG | LYS | GLN | MET | ALA | VAL | LYS | ||||
| 3 | LYS | TYR | LEU | ASN | SER | ILE | LEU | ASN | GLY |
Samples:
sample_1: vasoactive intestinal peptide, [U-13C; U-15N], 0.5 mM; DPC 1%; potassium phosphate 50 mM
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe v5.2, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY v3.110, Goddard - chemical shift assignment, peak picking
CYANA v2.0.17, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 11419 1652 |
| PDB | |
| DBJ | BAB31301 BAF84648 BAP63927 BAP63928 BAP63929 |
| EMBL | CAA26200 |
| GB | AAA61284 AAA61285 AAA61286 AAA61287 AAA61289 |
| PIR | VRBO |
| PRF | 0601216A 0909264A 1007235A 1012267A 1109226A |
| REF | NP_001119840 NP_001182162 NP_001247681 NP_001300898 NP_003372 |
| SP | P01282 P01283 P01284 P32648 P32649 |
| TPG | DAA26008 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts