BMRB Entry 25545
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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/BMR25545
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Title: Complex structure of MyUb (1080-1122) of human Myosin VI with K63-diUb PubMed: 26971995
Deposition date: 2015-03-20 Original release date: 2016-03-07
Authors: He, Fahu; Walters, Kylie
Citation: He, Fahu; Wollscheid, Hans-Peter; Nowicka, Urszula; Biancospino, Matteo; Valentini, Eleonora; Ehlinger, Aaron; Acconcia, Filippo; Magistrati, Elisa; Polo, Simona; Walters, Kylie. "Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains" Cell Rep. 14, 2683-2694 (2016).
Assembly members:
entity_1, polymer, 43 residues, Formula weight is not available
entity_2, polymer, 76 residues, Formula weight is not available
entity_3, polymer, 76 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):
entity_1: GTKKYDLSKWKYAELRDTIN
TSCDIELLAACREEFHRRLK
VYH
entity_2: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQRESTLHLVLRLRGG
entity_3: MQIFVKTLTGKTITLEVEPS
DTIENVKAKIQDKEGIPPDQ
QRLIFAGKQLEDGRTLSDYN
IQKESTLHLVLRLRGC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 698 |
| 15N chemical shifts | 156 |
| 1H chemical shifts | 1145 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_2 | 2 |
| 3 | entity_3 | 3 |
| 4 | entity_1, 2 | 1 |
Entities:
Entity 1, entity_1, 1 43 residues - Formula weight is not available
| 1 | GLY | THR | LYS | LYS | TYR | ASP | LEU | SER | LYS | TRP | ||||
| 2 | LYS | TYR | ALA | GLU | LEU | ARG | ASP | THR | ILE | ASN | ||||
| 3 | THR | SER | CYS | ASP | ILE | GLU | LEU | LEU | ALA | ALA | ||||
| 4 | CYS | ARG | GLU | GLU | PHE | HIS | ARG | ARG | LEU | LYS | ||||
| 5 | VAL | TYR | HIS |
Entity 2, entity_2 76 residues - Formula weight is not available
| 1 | MET | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 2 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 3 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 4 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 5 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 6 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 7 | ILE | GLN | ARG | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 8 | LEU | ARG | LEU | ARG | GLY | GLY |
Entity 3, entity_3 76 residues - Formula weight is not available
| 1 | MET | GLN | ILE | PHE | VAL | LYS | THR | LEU | THR | GLY | ||||
| 2 | LYS | THR | ILE | THR | LEU | GLU | VAL | GLU | PRO | SER | ||||
| 3 | ASP | THR | ILE | GLU | ASN | VAL | LYS | ALA | LYS | ILE | ||||
| 4 | GLN | ASP | LYS | GLU | GLY | ILE | PRO | PRO | ASP | GLN | ||||
| 5 | GLN | ARG | LEU | ILE | PHE | ALA | GLY | LYS | GLN | LEU | ||||
| 6 | GLU | ASP | GLY | ARG | THR | LEU | SER | ASP | TYR | ASN | ||||
| 7 | ILE | GLN | LYS | GLU | SER | THR | LEU | HIS | LEU | VAL | ||||
| 8 | LEU | ARG | LEU | ARG | GLY | CYS |
Samples:
sample_1: entity_1, [U-13C; U-15N], 0.5 mM; entity_2, [U-13C; U-15N], 0.5 mM; entity_3, [U-13C; U-15N], 0.5 mM; sodium phosphate 20 mM; NaCl 50 mM; DTT 2 mM; NaN3 0.1%
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D half-filter NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Kujira, Naohiro Kobayashi - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts