BMRB Entry 18701
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18701
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Title: Solution struture of cofilin like UNC-60B protein from Caenorhabditis elegans
Deposition date: 2012-09-04 Original release date: 2013-10-08
Authors: SHUKLA, VAIBHAV KUMAR; YADAV, RAHUL; KABRA, ASHISH; JAIN, ANUPAM; KUMAR, DINESH; ONO, SHOICHIRO; ARORA, ASHISH
Citation: SHUKLA, VAIBHAV KUMAR; YADAV, RAHUL; KABRA, ASHISH; JAIN, ANUPAM; KUMAR, DINESH; ONO, SHOICHIRO; ARORA, ASHISH. "Solution structure and dynamics of UNC-60B from Caenorhabditis elegans" Biophys. J. ., .-..
Assembly members:
entity, polymer, 152 residues, 17070.590 Da.
Natural source: Common Name: Rhabditis elegans Taxonomy ID: 6239 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Caenorhabditis elegans
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MASGVKVDPSCKNAYDLLHN
KHQHSYIIFKIDKNDTAIVV
EKVGEKNAPYAEFVEEMKKL
VEDGKECRYAAVDVEVTVQR
QGAEGTSTLNKVIFVQYCPD
NAPVRRRMLYASSVRALKAS
LGLESLFQVQASEMSDLDEK
SVKSDLMSNQRI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 646 |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 1005 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | UNC-60B from Caenorhabditis elegans | 1 |
Entities:
Entity 1, UNC-60B from Caenorhabditis elegans 152 residues - 17070.590 Da.
| 1 | MET | ALA | SER | GLY | VAL | LYS | VAL | ASP | PRO | SER | ||||
| 2 | CYS | LYS | ASN | ALA | TYR | ASP | LEU | LEU | HIS | ASN | ||||
| 3 | LYS | HIS | GLN | HIS | SER | TYR | ILE | ILE | PHE | LYS | ||||
| 4 | ILE | ASP | LYS | ASN | ASP | THR | ALA | ILE | VAL | VAL | ||||
| 5 | GLU | LYS | VAL | GLY | GLU | LYS | ASN | ALA | PRO | TYR | ||||
| 6 | ALA | GLU | PHE | VAL | GLU | GLU | MET | LYS | LYS | LEU | ||||
| 7 | VAL | GLU | ASP | GLY | LYS | GLU | CYS | ARG | TYR | ALA | ||||
| 8 | ALA | VAL | ASP | VAL | GLU | VAL | THR | VAL | GLN | ARG | ||||
| 9 | GLN | GLY | ALA | GLU | GLY | THR | SER | THR | LEU | ASN | ||||
| 10 | LYS | VAL | ILE | PHE | VAL | GLN | TYR | CYS | PRO | ASP | ||||
| 11 | ASN | ALA | PRO | VAL | ARG | ARG | ARG | MET | LEU | TYR | ||||
| 12 | ALA | SER | SER | VAL | ARG | ALA | LEU | LYS | ALA | SER | ||||
| 13 | LEU | GLY | LEU | GLU | SER | LEU | PHE | GLN | VAL | GLN | ||||
| 14 | ALA | SER | GLU | MET | SER | ASP | LEU | ASP | GLU | LYS | ||||
| 15 | SER | VAL | LYS | SER | ASP | LEU | MET | SER | ASN | GLN | ||||
| 16 | ARG | ILE |
Samples:
sample_1: UNC-60B, [U-99% 15N], 0.9 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; H2O 93%; D2O 7%
sample_2: UNC-60B, [U-99% 13C; U-99% 15N], 0.9 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; H2O 93%; D2O 7%
sample_3: UNC-60B, [U-99% 13C; U-99% 15N], 0.9 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.1%; D2O 100%
sample_conditions_1: ionic strength: 50 mM; 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 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO-NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| CB(CGCD)HD | sample_2 | isotropic | sample_conditions_1 |
| CB(CGCDCE)HE | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_3 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - STRUCTURE CALCULATION
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
PSVS, Bhattacharya and Montelione - structure validation
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts