BMRB Entry 16845
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16845
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Title: Cementoin backbone chemical assignment and spin relaxation PubMed: 20932308
Deposition date: 2010-04-07 Original release date: 2010-09-14
Authors: Bellemare, Audrey; Morin, Sebastien; Gagne, Stephane; Bourbonnais, Yves
Citation: Bellemare, Audrey; Vernoux, Nathalie; Morin, Sebastien; Gagne, Stephane; Bourbonnais, Yves. "Structural and antimicrobial properties of human pre-elafin/trappin-2 and derived peptides against Pseudomonas aeruginosa." BMC Microbiol. 10, 253-253 (2010).
Assembly members:
cementoin, polymer, 38 residues, 3948.5 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):
cementoin: AVTGVPVKGQDTVKGRVPFN
GQDPVKGQVSVKGQDKVK
- assigned_chemical_shifts
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 93 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 33 |
| heteronuclear NOE values | 34 |
| T1 relaxation values | 34 |
| T2 relaxation values | 34 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cementoin | 1 |
Entities:
Entity 1, cementoin 38 residues - 3948.5 Da.
| 1 | ALA | VAL | THR | GLY | VAL | PRO | VAL | LYS | GLY | GLN | ||||
| 2 | ASP | THR | VAL | LYS | GLY | ARG | VAL | PRO | PHE | ASN | ||||
| 3 | GLY | GLN | ASP | PRO | VAL | LYS | GLY | GLN | VAL | SER | ||||
| 4 | VAL | LYS | GLY | GLN | ASP | LYS | VAL | LYS |
Samples:
sample_1: cementoin, [U-98% 13C; U-98% 15N], 0.5 mM; DSS 60 uM; sodium phosphate 50 mM; TFE, [U-2H], 50%; H2O 50%
sample_conditions_1: ionic strength: 50 mM; pH: 6.4; temperature: 275.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N 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 |
Software:
NMRView v5.2.2, One Moon Scientific Inc. - peak picking
NMRPipe v2.3, The Ad Bax Group - processing
Smartnotebook v5.0.5, PENCE - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| DBJ | BAA02441 BAJ20362 |
| EMBL | CAA11183 CAA79223 CAG47030 |
| GB | AAA36483 AAB26371 AAH10952 AAX36425 AAX36873 |
| REF | NP_001103981 NP_001129323 NP_001162039 NP_002629 XP_003825998 |
| SP | P19957 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts