BMRB Entry 30936
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30936
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Atomic-Resolution Structure of Kinesin-1 Motor Domain in Complex with Polymeric Microtubules by Magic Angle Spinning NMR PubMed: 36357375
Deposition date: 2021-07-20 Original release date: 2022-11-17
Authors: Zhang, C.; Guo, C.; Russell, R.; Quinn, C.; Li, M.; Williams, J.; Gronenborn, A.; Polenova, T.
Citation: Zhang, C.; Guo, C.; Russell, R.; Quinn, C.; Li, M.; Williams, J.; Gronenborn, A.; Polenova, T.. "Magic-angle-spinning NMR structure of the kinesin-1 motor domain assembled with microtubules reveals the elusive neck linker orientation" Nat. Commun. 13, 6795-6795 (2022).
Assembly members:
entity_1, polymer, 349 residues, 39318.406 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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 1098 |
| 15N chemical shifts | 278 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 349 residues - 39318.406 Da.
| 1 | MET | ALA | ASP | LEU | ALA | GLU | CYS | ASN | ILE | LYS | ||||
| 2 | VAL | MET | CYS | ARG | PHE | ARG | PRO | LEU | ASN | GLU | ||||
| 3 | SER | GLU | VAL | ASN | ARG | GLY | ASP | LYS | TYR | ILE | ||||
| 4 | ALA | LYS | PHE | GLN | GLY | GLU | ASP | THR | VAL | VAL | ||||
| 5 | ILE | ALA | SER | LYS | PRO | TYR | ALA | PHE | ASP | ARG | ||||
| 6 | VAL | PHE | GLN | SER | SER | THR | SER | GLN | GLU | GLN | ||||
| 7 | VAL | TYR | ASN | ASP | CYS | ALA | LYS | LYS | ILE | VAL | ||||
| 8 | LYS | ASP | VAL | LEU | GLU | GLY | TYR | ASN | GLY | THR | ||||
| 9 | ILE | PHE | ALA | TYR | GLY | GLN | THR | SER | SER | GLY | ||||
| 10 | LYS | THR | HIS | THR | MET | GLU | GLY | LYS | LEU | HIS | ||||
| 11 | ASP | PRO | GLU | GLY | MET | GLY | ILE | ILE | PRO | ARG | ||||
| 12 | ILE | VAL | GLN | ASP | ILE | PHE | ASN | TYR | ILE | TYR | ||||
| 13 | SER | MET | ASP | GLU | ASN | LEU | GLU | PHE | HIS | ILE | ||||
| 14 | LYS | VAL | SER | TYR | PHE | GLU | ILE | TYR | LEU | ASP | ||||
| 15 | LYS | ILE | ARG | ASP | LEU | LEU | ASP | VAL | SER | LYS | ||||
| 16 | THR | ASN | LEU | SER | VAL | HIS | GLU | ASP | LYS | ASN | ||||
| 17 | ARG | VAL | PRO | TYR | VAL | LYS | GLY | CYS | THR | GLU | ||||
| 18 | ARG | PHE | VAL | CYS | SER | PRO | ASP | GLU | VAL | MET | ||||
| 19 | ASP | THR | ILE | ASP | GLU | GLY | LYS | SER | ASN | ARG | ||||
| 20 | HIS | VAL | ALA | VAL | THR | ASN | MET | ASN | GLU | HIS | ||||
| 21 | SER | SER | ARG | SER | HIS | SER | ILE | PHE | LEU | ILE | ||||
| 22 | ASN | VAL | LYS | GLN | GLU | ASN | THR | GLN | THR | GLU | ||||
| 23 | GLN | LYS | LEU | SER | GLY | LYS | LEU | TYR | LEU | VAL | ||||
| 24 | ASP | LEU | ALA | GLY | SER | GLU | LYS | VAL | SER | LYS | ||||
| 25 | THR | GLY | ALA | GLU | GLY | ALA | VAL | LEU | ASP | GLU | ||||
| 26 | ALA | LYS | ASN | ILE | ASN | LYS | SER | LEU | SER | ALA | ||||
| 27 | LEU | GLY | ASN | VAL | ILE | SER | ALA | LEU | ALA | GLU | ||||
| 28 | GLY | SER | THR | TYR | VAL | PRO | TYR | ARG | ASP | SER | ||||
| 29 | LYS | MET | THR | ARG | ILE | LEU | GLN | ASP | SER | LEU | ||||
| 30 | GLY | GLY | ASN | CYS | ARG | THR | THR | ILE | VAL | ILE | ||||
| 31 | CYS | CYS | SER | PRO | SER | SER | TYR | ASN | GLU | SER | ||||
| 32 | GLU | THR | LYS | SER | THR | LEU | LEU | PHE | GLY | GLN | ||||
| 33 | ARG | ALA | LYS | THR | ILE | LYS | ASN | THR | VAL | CYS | ||||
| 34 | VAL | ASN | VAL | GLU | LEU | THR | ALA | GLU | GLN | TRP | ||||
| 35 | LYS | LYS | LYS | TYR | GLU | LYS | GLU | LYS | GLU |
Samples:
sample_1: Apo-Kif5b, [U-100% 13C; U-100% 15N], 9.1 % w/w; Porcine-alpha-tubulin 16.4 % w/w; Porcine-beta-tubulin 16.4 % w/w; TAXOL 5 uM; GUANOSINE-5'-TRIPHOSPHATE 1 mM; GUANOSINE-5'-DIPHOSPHATE 1 mM; Buffer 58.1 % w/w
sample_2: Apo-Kif5b, [U-100% 13C; U-100% 15N], 9.1 % w/w; Porcine-alpha-tubulin 16.4 % w/w; Porcine-beta-tubulin 16.4 % w/w; TAXOL 5 uM; GUANOSINE-5'-TRIPHOSPHATE 1 mM; GUANOSINE-5'-DIPHOSPHATE 1 mM; Buffer 58.1 % w/w
sample_3: Apo-Kif5b, [1,6-13C-glucose; U-100% 15N], 8.2 % w/w; Porcine-alpha-tubulin 16.4 % w/w; Porcine-beta-tubulin 16.4 % w/w; TAXOL 5 uM; GUANOSINE-5'-TRIPHOSPHATE 1 mM; GUANOSINE-5'-DIPHOSPHATE 1 mM; Buffer 59 % w/w
sample_4: Apo-Kif5b, [2-13C-glucose; U-100% 15N], 7.6 % w/w; Porcine-alpha-tubulin 16.4 % w/w; Porcine-beta-tubulin 16.4 % w/w; TAXOL 5 uM; GUANOSINE-5'-TRIPHOSPHATE 1 mM; GUANOSINE-5'-DIPHOSPHATE 1 mM; Buffer 59.6 % w/w
sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-detected CORD | sample_1 | isotropic | sample_conditions_1 |
| 2D 13C-detected CORD | sample_2 | isotropic | sample_conditions_1 |
| 2D 13C-detected CORD | sample_3 | isotropic | sample_conditions_1 |
| 2D 13C-detected CORD | sample_4 | isotropic | sample_conditions_1 |
| 2D NCACX | sample_2 | isotropic | sample_conditions_1 |
| 3D NCOCX | sample_2 | isotropic | sample_conditions_1 |
| 3D NCACX | sample_2 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection, processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TALOS-N, Cornilescu, Delaglio and Bax - chemical shift calculation
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE III 850 MHz
- Bruker AVANCE NEO 600 MHz