BMRB Entry 25008
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR25008
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Title: Phosphotyrosine binding domain
Deposition date: 2014-06-11 Original release date: 2014-08-04
Authors: Mukherjee, Manjeet; Jing-Song, Fan; Sivaraman, Jayaraman
Citation: Mukherjee, Manjeet; Jing-Song, Fan; Sivaraman, Jayaraman. "Dimeric switch of Hakai-truncated monomers during substrate recognition: insights from solution studies and NMR Structure" Not known ., .-..
Assembly members:
entity_1, polymer, 89 residues, 10219.175 Da.
ZINC ION, non-polymer, 65.409 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):
entity_1: VHFCDKCGLPIKVYGRMIPC
KHVFCYDCAILHEKKGDKMC
PGCSDPVQRIEQCTRGSLFM
CSIVQGCKRTYLSQRDLQAH
INHRHMRAG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 540 |
| 13C chemical shifts | 63 |
| 15N chemical shifts | 89 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
| 4 | ZINC ION_3 | 2 |
Entities:
Entity 1, entity_1 89 residues - 10219.175 Da.
| 1 | VAL | HIS | PHE | CYS | ASP | LYS | CYS | GLY | LEU | PRO | ||||
| 2 | ILE | LYS | VAL | TYR | GLY | ARG | MET | ILE | PRO | CYS | ||||
| 3 | LYS | HIS | VAL | PHE | CYS | TYR | ASP | CYS | ALA | ILE | ||||
| 4 | LEU | HIS | GLU | LYS | LYS | GLY | ASP | LYS | MET | CYS | ||||
| 5 | PRO | GLY | CYS | SER | ASP | PRO | VAL | GLN | ARG | ILE | ||||
| 6 | GLU | GLN | CYS | THR | ARG | GLY | SER | LEU | PHE | MET | ||||
| 7 | CYS | SER | ILE | VAL | GLN | GLY | CYS | LYS | ARG | THR | ||||
| 8 | TYR | LEU | SER | GLN | ARG | ASP | LEU | GLN | ALA | HIS | ||||
| 9 | ILE | ASN | HIS | ARG | HIS | MET | ARG | ALA | GLY |
Entity 2, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: entity_1, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; DTT 5 mM; D2O 5%; H2O 95%; potassium phosphate 50 mM
sample_conditions_1: temperature: 298 K; pH: 6.5; pressure: 1 atm; ionic strength: 0.05 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution, refinement
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAB15544 BAC33568 BAE00934 BAE01180 BAE38522 |
| GB | AAF89617 AAH19529 AAH27460 AAI30530 AAI30532 |
| REF | NP_001101488 NP_001179521 NP_001240776 NP_001240777 NP_001247656 |
| SP | Q4R7I8 Q75N03 Q9JIY2 |
| TPG | DAA30631 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
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SPARKY: Backbone
or all simulated shifts