BMRB Entry 17600
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17600
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Title: Solution structure of the isolated Par-6 PDZ domain PubMed: 22078569
Deposition date: 2011-04-25 Original release date: 2011-12-01
Authors: Volkman, B.; Whitney, D.; Peterson, F.
Citation: Whitney, Dustin; Peterson, Francis; Volkman, Brian. "A Conformational Switch in the CRIB-PDZ Module of Par-6" Structure 19, 1711-1722 (2011).
Assembly members:
Par-6, polymer, 102 residues, 10926.561 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Par-6: GSETHRRVRLLKHGSDKPLG
FYIRDGTSVRVTASGLEKQP
GIFISRLVPGGLAESTGLLA
VNDEVIEVNGIEVAGKTLDQ
VTDMMVANSSNLIITVKPAN
QR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 427 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 682 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Par-6 | 1 |
Entities:
Entity 1, Par-6 102 residues - 10926.561 Da.
The N-terminal GS dipeptide is a cloning artifact.
| 1 | GLY | SER | GLU | THR | HIS | ARG | ARG | VAL | ARG | LEU | ||||
| 2 | LEU | LYS | HIS | GLY | SER | ASP | LYS | PRO | LEU | GLY | ||||
| 3 | PHE | TYR | ILE | ARG | ASP | GLY | THR | SER | VAL | ARG | ||||
| 4 | VAL | THR | ALA | SER | GLY | LEU | GLU | LYS | GLN | PRO | ||||
| 5 | GLY | ILE | PHE | ILE | SER | ARG | LEU | VAL | PRO | GLY | ||||
| 6 | GLY | LEU | ALA | GLU | SER | THR | GLY | LEU | LEU | ALA | ||||
| 7 | VAL | ASN | ASP | GLU | VAL | ILE | GLU | VAL | ASN | GLY | ||||
| 8 | ILE | GLU | VAL | ALA | GLY | LYS | THR | LEU | ASP | GLN | ||||
| 9 | VAL | THR | ASP | MET | MET | VAL | ALA | ASN | SER | SER | ||||
| 10 | ASN | LEU | ILE | ILE | THR | VAL | LYS | PRO | ALA | ASN | ||||
| 11 | GLN | ARG |
Samples:
sample: Par-6, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; potassium chloride 50 mM
sample_conditions_1: ionic strength: 53 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D_15N-separated_NOESY | sample | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY | sample | isotropic | sample_conditions_1 |
| 3D_13C-separated_NOESY (AROMATIC) | sample | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement
TOPSPIN v2.1, Bruker - collection
NMRPipe v2007, Delagio,F. et al. - processing
XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis
GARANT v2.1, C. Bartels - data analysis
CYANA v2.1, Guntert, P. - structural calculation
NMR spectrometers:
- Bruker Avance II 600 MHz
Related Database Links:
| BMRB | 17599 |
| PDB | |
| GB | AAD15927 AAF48757 AAL28917 AAN09592 ACL90845 |
| REF | NP_573238 NP_728094 XP_001355305 XP_001963708 XP_001977590 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts