BMRB Entry 16285
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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/BMR16285
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Title: Solution structure of a PDZ protein
Deposition date: 2009-05-07 Original release date: 2012-08-06
Authors: Durney, Michael; Anklin, Clemens; Soni, Aditi; Birrane, Gabriel; Ladias, John
Citation: Durney, Michael. "Solution structure of a PDZ domain protein" Not known ., .-..
Assembly members:
TIP-1, polymer, 124 residues, Formula weight is not available
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):
TIP-1: GSYIPGQPVTAVVQRVEIHK
LRQGENLILGFSIGGGIDQD
PSQNPFSEDKTDKGIYVTRV
SEGGPAEIAGLQIGDKIMQV
NGWDMTMVTHDQARKRLTKR
SEEVVRLLVTRQSLQKAVQQ
SMLS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 432 |
| 15N chemical shifts | 120 |
| 1H chemical shifts | 688 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TIP-1 | 1 |
Entities:
Entity 1, TIP-1 124 residues - Formula weight is not available
| 1 | GLY | SER | TYR | ILE | PRO | GLY | GLN | PRO | VAL | THR | ||||
| 2 | ALA | VAL | VAL | GLN | ARG | VAL | GLU | ILE | HIS | LYS | ||||
| 3 | LEU | ARG | GLN | GLY | GLU | ASN | LEU | ILE | LEU | GLY | ||||
| 4 | PHE | SER | ILE | GLY | GLY | GLY | ILE | ASP | GLN | ASP | ||||
| 5 | PRO | SER | GLN | ASN | PRO | PHE | SER | GLU | ASP | LYS | ||||
| 6 | THR | ASP | LYS | GLY | ILE | TYR | VAL | THR | ARG | VAL | ||||
| 7 | SER | GLU | GLY | GLY | PRO | ALA | GLU | ILE | ALA | GLY | ||||
| 8 | LEU | GLN | ILE | GLY | ASP | LYS | ILE | MET | GLN | VAL | ||||
| 9 | ASN | GLY | TRP | ASP | MET | THR | MET | VAL | THR | HIS | ||||
| 10 | ASP | GLN | ALA | ARG | LYS | ARG | LEU | THR | LYS | ARG | ||||
| 11 | SER | GLU | GLU | VAL | VAL | ARG | LEU | LEU | VAL | THR | ||||
| 12 | ARG | GLN | SER | LEU | GLN | LYS | ALA | VAL | GLN | GLN | ||||
| 13 | SER | MET | LEU | SER |
Samples:
sample_1: TIP-1, [U-100% 13C; U-100% 15N], 1-2 ± 0.25 mM; sodium phosphate 50 mM; NaCl 50 mM; EDTA 1 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; 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 CBCA(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 HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker DMX 700 MHz
- Bruker DMX 600 MHz
Related Database Links:
| BMRB | 17254 17255 |
| PDB | |
| DBJ | BAB23703 BAE29879 BAE40411 BAE41827 BAE89417 |
| GB | AAB84248 AAF43104 AAG44368 AAH08166 AAH23980 |
| REF | NP_001029646 NP_001244463 NP_001272005 NP_055419 NP_083840 |
| SP | O14907 Q9DBG9 |
| TPG | DAA18859 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts