BMRB Entry 16840
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16840
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Title: 1H, 15N and 13C resonance assignment of Darcin, a Major Urinary Protein of the mouse PubMed: 20703836
Deposition date: 2010-04-06 Original release date: 2010-08-19
Authors: Phelan, Marie; McLean, Lynn; Simpson, Deborah; Hurst, Jane; Beynon, Robert; Lian, Lu-Yun
Citation: Phelan, Marie; McLean, Lynn; Simpson, Deborah; Hurst, Jane; Beynon, Robert; Lian, Lu-Yun. "1H, 15N and 13C resonance assignment of darcin, a mouse major urinary protein." Biomol. NMR Assignments 4, 239-241 (2010).
Assembly members:
darcin, polymer, 176 residues, 20533.9058 Da.
Natural source: Common Name: House mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
darcin: MGSSHHHHHHIEGREEASSM
ERNFNVEKINGEWYTIMLAT
DKREKIEEHGSMRVFVEYIH
VLENSLALKFHIIINEECSE
IFLVADKTEKAGEYSVTYDG
SNTFTILKTDYDNYIMIHLI
NKKDGETFQLMELYGREPDL
SSDIKEKFAQLSEEHGIVRE
NIIDLTNANRCLEARE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 781 |
| 15N chemical shifts | 186 |
| 1H chemical shifts | 1202 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | darcin | 1 |
Entities:
Entity 1, darcin 176 residues - 20533.9058 Da.
residues 20 to 181 correspond to the native MUP residues 6 to 19 correspond to the cloning and purification tag
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | ILE | GLU | GLY | ARG | GLU | GLU | ALA | SER | SER | MET | ||||
| 3 | GLU | ARG | ASN | PHE | ASN | VAL | GLU | LYS | ILE | ASN | ||||
| 4 | GLY | GLU | TRP | TYR | THR | ILE | MET | LEU | ALA | THR | ||||
| 5 | ASP | LYS | ARG | GLU | LYS | ILE | GLU | GLU | HIS | GLY | ||||
| 6 | SER | MET | ARG | VAL | PHE | VAL | GLU | TYR | ILE | HIS | ||||
| 7 | VAL | LEU | GLU | ASN | SER | LEU | ALA | LEU | LYS | PHE | ||||
| 8 | HIS | ILE | ILE | ILE | ASN | GLU | GLU | CYS | SER | GLU | ||||
| 9 | ILE | PHE | LEU | VAL | ALA | ASP | LYS | THR | GLU | LYS | ||||
| 10 | ALA | GLY | GLU | TYR | SER | VAL | THR | TYR | ASP | GLY | ||||
| 11 | SER | ASN | THR | PHE | THR | ILE | LEU | LYS | THR | ASP | ||||
| 12 | TYR | ASP | ASN | TYR | ILE | MET | ILE | HIS | LEU | ILE | ||||
| 13 | ASN | LYS | LYS | ASP | GLY | GLU | THR | PHE | GLN | LEU | ||||
| 14 | MET | GLU | LEU | TYR | GLY | ARG | GLU | PRO | ASP | LEU | ||||
| 15 | SER | SER | ASP | ILE | LYS | GLU | LYS | PHE | ALA | GLN | ||||
| 16 | LEU | SER | GLU | GLU | HIS | GLY | ILE | VAL | ARG | GLU | ||||
| 17 | ASN | ILE | ILE | ASP | LEU | THR | ASN | ALA | ASN | ARG | ||||
| 18 | CYS | LEU | GLU | ALA | ARG | GLU |
Samples:
sample_1: darcin, [U-98% 13C; U-98% 15N], 1 mM; potassium phosphate 25 mM; sodium azide 0.2%; H2O 90%; D2O 10%
sample_2: darcin, [U-98% 13C; U-98% 15N], 1 mM; potassium phosphate 25 mM; sodium azide 0.2%; D2O 100%
sample_conditions_1: ionic strength: 25 mM; pH: 6.8; pressure: 1 atm; temperature: 300 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 HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHANH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (aromatic) | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
ANALYSIS v2.1.3, CCPN - chemical shift assignment, data analysis
DANGLE v1.1, CCPN - Secondary structure calculation
AZARA vany, CCPN - Spectrum processing
TOPSPIN v2.1, Bruker biospin - Data collection, Spectrum processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| EMBL | CAP58483 CAQ11567 |
| GB | AAH89613 AAH92096 ACF70718 |
| REF | NP_001012323 XP_006538108 |
| SP | Q5FW60 |
| TPG | DAA06315 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts