BMRB Entry 5688
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5688
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Title: Backbone 1H, 13C, and 15N Chemical Shifts Assignment for the all-trans conformer of the cathelin-like domain of the protegrin-3 precursor PubMed: 12705830
Deposition date: 2003-02-07 Original release date: 2003-10-08
Authors: Yang, Y.; Sanchez, J.; Strub, M.; Brutscher, B.; Aumelas, A.
Citation: Yang, Y.; Sanchez, J.; Strub, M.; Brutscher, B.; Aumelas, A.. "NMR Structure of the Cathelin-like Domain of the Protegrin-3 Precursor" Biochemistry 42, 4669-4680 (2003).
Assembly members:
cathelin-like domain, polymer, 105 residues, Formula weight is not available
Natural source: Common Name: Pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
cathelin-like domain: GSHMQALSYREAVLRAVDRL
NEQSSEANLYRLLELDQPPK
ADEDPGTPKPVSFTVKETVC
PRPTRQPPELCDFKENGRVK
QCVGTVTLDQIKDPLDITCN
EVQGV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 2824 |
| 13C chemical shifts | 780 |
| 15N chemical shifts | 372 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cathelin-like domain of protegrins | 1 |
Entities:
Entity 1, Cathelin-like domain of protegrins 105 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | GLN | ALA | LEU | SER | TYR | ARG | ||||
| 2 | GLU | ALA | VAL | LEU | ARG | ALA | VAL | ASP | ARG | LEU | ||||
| 3 | ASN | GLU | GLN | SER | SER | GLU | ALA | ASN | LEU | TYR | ||||
| 4 | ARG | LEU | LEU | GLU | LEU | ASP | GLN | PRO | PRO | LYS | ||||
| 5 | ALA | ASP | GLU | ASP | PRO | GLY | THR | PRO | LYS | PRO | ||||
| 6 | VAL | SER | PHE | THR | VAL | LYS | GLU | THR | VAL | CYS | ||||
| 7 | PRO | ARG | PRO | THR | ARG | GLN | PRO | PRO | GLU | LEU | ||||
| 8 | CYS | ASP | PHE | LYS | GLU | ASN | GLY | ARG | VAL | LYS | ||||
| 9 | GLN | CYS | VAL | GLY | THR | VAL | THR | LEU | ASP | GLN | ||||
| 10 | ILE | LYS | ASP | PRO | LEU | ASP | ILE | THR | CYS | ASN | ||||
| 11 | GLU | VAL | GLN | GLY | VAL |
Samples:
sample_1: cathelin-like domain, [U-15N; U-13C], 1.5 – 2 mM; phosphate buffer 50 mM; H2O 95%; D2O 5%
sample_2: cathelin-like domain, [U-15N; U-13C], 1.5 – 2 mM; phosphate buffer 50 mM; D2O 100%
sample_cond_1: pH: 6.2; temperature: 300 K; ionic strength: 100 mM; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNCA | not available | not available | not available |
| HNCO | not available | not available | not available |
| CBCA(CO)NH | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| HC(C)H-TOCSY | not available | not available | not available |
| 3D 13C-separated NOESY | not available | not available | not available |
Software:
GIFA v4.4 - processing
X-PLOR v3.8 - refinement
XWINNMR v2.0 -
NMR spectrometers:
- Bruker Avance 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| PDB | |
| EMBL | CAA56251 CAA58240 CAA58241 CAA58890 CAA58891 |
| GB | AAA31061 |
| PRF | 2013229A |
| REF | NP_001116621 NP_001116622 NP_001123438 |
| SP | P32194 P32195 P32196 P49933 P49934 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts