BMRB Entry 19488
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19488
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Title: Solution structure of WW domain with polyproline stretch (PP2WW) of HYPB PubMed: 24412394
Deposition date: 2013-09-11 Original release date: 2014-03-21
Authors: Gao, Yong-Guang; Hu, Hong-Yu
Citation: Gao, Yong-Guang; Yang, Hui; Zhao, Jian; Jiang, Ya-Jun; Hu, Hong-Yu. "Autoinhibitory Structure of the WW Domain of HYPB/SETD2 Regulates Its Interaction with the Proline-Rich Region of Huntingtin" Structure 22, 378-386 (2014).
Assembly members:
entity, polymer, 56 residues, 6336.088 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):
entity: GSDLPPPSPPKPKTIVLPPN
WKTARDPEGKIYYYHVITRQ
TQWDPPTWESPGDDAS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 150 |
| 15N chemical shifts | 46 |
| 1H chemical shifts | 244 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PP2WW of HYPB | 1 |
Entities:
Entity 1, PP2WW of HYPB 56 residues - 6336.088 Da.
| 1 | GLY | SER | ASP | LEU | PRO | PRO | PRO | SER | PRO | PRO | ||||
| 2 | LYS | PRO | LYS | THR | ILE | VAL | LEU | PRO | PRO | ASN | ||||
| 3 | TRP | LYS | THR | ALA | ARG | ASP | PRO | GLU | GLY | LYS | ||||
| 4 | ILE | TYR | TYR | TYR | HIS | VAL | ILE | THR | ARG | GLN | ||||
| 5 | THR | GLN | TRP | ASP | PRO | PRO | THR | TRP | GLU | SER | ||||
| 6 | PRO | GLY | ASP | ASP | ALA | SER |
Samples:
sample_1: PP2WW, [U-99% 13C; U-99% 15N], 500 uM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.05 w/v %
sample_conditions_1: ionic strength: 0.08 M; pH: 6.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
ARIA, Linge, O, . - structure solution
Molmol, Koradi, Billeter and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 19483 |
| PDB | |
| DBJ | BAB21823 BAD32524 BAG10485 |
| EMBL | CAC28349 CAD28492 |
| GB | AAC26194 AAC26846 AAH31601 AAH59049 AAH90954 |
| REF | NP_001074809 NP_001101659 NP_054878 XP_001113652 XP_001495700 |
| SP | E9Q5F9 Q9BYW2 |
| TPG | DAA16805 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts