BMRB Entry 18537
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18537
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: 1H and 13C chemical shifts for collagelin
Deposition date: 2012-06-20 Original release date: 2012-12-21
Authors: Gnanagurunathan, Nimalta; Guenin, Erwann; Herve du Penhoat, Catherine
Citation: Herve du Penhoat, Catherine; Gnanagurunathan, Nimalta; Guenin, Erwann. "Collagelin 1H and 13C NMR data" .
Assembly members:
collagelin, polymer, 23 residues, 2178.4 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: obtained from a vendor
Entity Sequences (FASTA):
collagelin: SGSGCGPRVMHGLHLGDDEG
PCX
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 41 |
1H chemical shifts | 97 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | collagelin | 1 |
Entities:
Entity 1, collagelin 23 residues - 2178.4 Da.
The C-termini residue is a cysteine with the carboxyl OH replaced by the NH2 moiety
1 | SER | GLY | SER | GLY | CYS | GLY | PRO | ARG | VAL | MET | ||||
2 | HIS | GLY | LEU | HIS | LEU | GLY | ASP | ASP | GLU | GLY | ||||
3 | PRO | CYS | NH2 |
Samples:
sample_1: collagelin 3 mM; H2O 93%; D2O, [U-100% 2H], 7%; sodium phosphate 20 mM; sodium azide 5 uM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 70 mM; pH: 5.4; pressure: 1 atm; temperature: 273 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
DYANA vversion 1.5, Bartels et al., Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Guntert, Guntert, Braun and Wuthrich, Koradi, Billeter and Wuthrich - chemical shift assignment, chemical shift assignment, peak picking, processing, refinement, structure solution
NMR spectrometers:
- Varian UnityPlus 500 MHz