BMRB Entry 17017
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17017
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Title: Solution NMR Structure of (Ubiquitin thioesterase OTU1 EC3.1.2.-) from Mus musculus, Northeast Structural Genomics Consortium Target MmT2A
Deposition date: 2010-06-23 Original release date: 2010-07-26
Authors: Chitayat, Seth; Gutmanas, Aleksandras; Lemak, Alexander; Yee, Adelinda; Bezsonova, Irina; Wu, Bin; Doherty, Ryan; Semesi, Anthony; Montelione, Gaetano; Arrowsmith, Cheryl; Dhe-Paganon, Sirano
Citation: chitayat, seth. "Northeast Structural Genomics Consortium Target MmT2A" To be published ., .-..
Assembly members:
MmT2A, polymer, 86 residues, 9364.784 Da.
Natural source: Common Name: 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):
MmT2A: WRVRCKAKGGTHLLQGLSSR
TRLRELQGQIAAITGIAPGS
QRILVGYPPECLDLSDRDIT
LGDLPIQSGDMLIVEEDQTR
PKASPS
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 346 |
| 15N chemical shifts | 87 |
| 1H chemical shifts | 585 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MmT2A | 1 |
Entities:
Entity 1, MmT2A 86 residues - 9364.784 Da.
| 1 | TRP | ARG | VAL | ARG | CYS | LYS | ALA | LYS | GLY | GLY | ||||
| 2 | THR | HIS | LEU | LEU | GLN | GLY | LEU | SER | SER | ARG | ||||
| 3 | THR | ARG | LEU | ARG | GLU | LEU | GLN | GLY | GLN | ILE | ||||
| 4 | ALA | ALA | ILE | THR | GLY | ILE | ALA | PRO | GLY | SER | ||||
| 5 | GLN | ARG | ILE | LEU | VAL | GLY | TYR | PRO | PRO | GLU | ||||
| 6 | CYS | LEU | ASP | LEU | SER | ASP | ARG | ASP | ILE | THR | ||||
| 7 | LEU | GLY | ASP | LEU | PRO | ILE | GLN | SER | GLY | ASP | ||||
| 8 | MET | LEU | ILE | VAL | GLU | GLU | ASP | GLN | THR | ARG | ||||
| 9 | PRO | LYS | ALA | SER | PRO | SER |
Samples:
sample_1: MmT2A, [U-100% 13C; U-100% 15N], 1.1 mM; H2O 95%; D2O 5%
sample_conditions_1: 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C arom NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(C)CH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| N15-edited NOESY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| C13-edited NOESY-HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinemen, structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN, Bruker Biospin - collection
SPARKY, Goddard - data analysis
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Molmol, Koradi, Billeter and Wuthrich - data analysis
MDDGUI v1.0, Gutmanas, Arrowsmith - processing
FMCGUI v2.3, Lemak, Arrowsmith - chemical shift assignment, refinement, structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinemen, structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAC29646 BAC29661 BAC35495 |
| GB | AAH99948 AAI39035 |
| REF | NP_848806 |
| SP | Q8CB27 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts