BMRB Entry 17752
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17752
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Title: SOLUTION STRUCTURE OF THE HUMAN PROLACTIN RECEPTOR ECD DOMAIN D2
Deposition date: 2011-06-30 Original release date: 2012-02-13
Authors: Dagil, Robert; Knudsen, Maiken; Kragelund, Birthe; O'Shea, Charlotte
Citation: Dagil, Robert; Knudsen, Maiken; Olsen, Johan; O'Shea, Charlotte; Franzmann, Magnus; Goffin, Vincent; Teilum, Kaare; Breinholt, Jens; Kragelund, Birthe. "The WSXWS Motif in Cytokine Receptors Is a Molecular Switch Involved in Receptor Activation: Insight from Structures of the Prolactin Receptor" Structure 20, 270-282 (2012).
Assembly members:
hPRLR-D2, polymer, 113 residues, 13328.4 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):
hPRLR-D2: MYIVQPDPPLELAVEVKQPE
DRKPYLWIKWSPPTLIDLKT
GWFTLLYEIRLKPEKAAEWE
IHFAGQQTEFKILSLHPGQK
YLVQVRCKPDHGYWSAWSPA
TFIQIPSDFTMND
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 549 |
| 15N chemical shifts | 112 |
| 1H chemical shifts | 809 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hPRLR-D2 | 1 |
Entities:
Entity 1, hPRLR-D2 113 residues - 13328.4 Da.
| 1 | MET | TYR | ILE | VAL | GLN | PRO | ASP | PRO | PRO | LEU | ||||
| 2 | GLU | LEU | ALA | VAL | GLU | VAL | LYS | GLN | PRO | GLU | ||||
| 3 | ASP | ARG | LYS | PRO | TYR | LEU | TRP | ILE | LYS | TRP | ||||
| 4 | SER | PRO | PRO | THR | LEU | ILE | ASP | LEU | LYS | THR | ||||
| 5 | GLY | TRP | PHE | THR | LEU | LEU | TYR | GLU | ILE | ARG | ||||
| 6 | LEU | LYS | PRO | GLU | LYS | ALA | ALA | GLU | TRP | GLU | ||||
| 7 | ILE | HIS | PHE | ALA | GLY | GLN | GLN | THR | GLU | PHE | ||||
| 8 | LYS | ILE | LEU | SER | LEU | HIS | PRO | GLY | GLN | LYS | ||||
| 9 | TYR | LEU | VAL | GLN | VAL | ARG | CYS | LYS | PRO | ASP | ||||
| 10 | HIS | GLY | TYR | TRP | SER | ALA | TRP | SER | PRO | ALA | ||||
| 11 | THR | PHE | ILE | GLN | ILE | PRO | SER | ASP | PHE | THR | ||||
| 12 | MET | ASN | ASP |
Samples:
sample_1: hPRLR-D2, [U-100% 13C; U-100% 15N], 0.5 mM; sodium phosphate 10 mM; TCEP 10 mM; DSS 1 mM; sodium azide 0.02%; D2O 10%; H2O 90%
sample_2: hPRLR-D2, [U-100% 13C(1)], 0.5 mM; sodium phosphate 10 mM; TCEP 10 mM; sodium azide 0.02%; DSS 1 mM; D2O 100%
sample_conditions_1: pH: 7.4; 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
Software:
AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
CYANA v2.2.1, Guntert, Mumenthaler and Wuthrich - chemical shift assignment
X-PLOR NIH v2.25, Schwieters, Kuszewski, Tjandra and Clore - structure solution
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CCPN v2.1.5, CCPN - peak picking
ARIA v2.3.2, Linge, O, . - Water refinement
NMR spectrometers:
- Varian INOVA 800 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAG36079 BAG73583 |
| EMBL | CAH91100 CAL38328 CAL38451 |
| GB | AAA60174 AAB34470 AAD32032 AAD49855 AAH59392 |
| REF | NP_000940 NP_001153263 NP_001191243 NP_001191244 NP_001191245 |
| SP | P16471 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts