BMRB Entry 19966
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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/BMR19966
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Title: Structure and function of the JAK interaction region in the intrinsically disordered N-terminus of SOCS5
Deposition date: 2014-05-12 Original release date: 2015-05-18
Authors: Chandrashekaran, Indu; Mohanty, Biswaranjan; Linossi, Edmond; Dagley, Laura; Murphy, James; Nicholson, Sandra; Babon, Jeffrey; Norton, Raymond
Citation: Chandrashekaran, Indu; Mohanty, Biswaranjan; Linossi, Edmond; Dagley, Laura; Murphy, James; Nicholson, Sandra; Babon, Jeffrey; Norton, Raymond. "Structure and function of the JAK interaction region in the intrinsically disordered N-terminus of SOCS5" J. Mol. Biol. ., .-..
Assembly members:
entity, polymer, 70 residues, 8116.588 Da.
Natural source: Common Name: house 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):
entity: RSLRQRLQDTVGLCFPMRTY
SKQSKPLFSNKRKIHLSELM
LEKCPFPAGSDLAQKWHLIK
QHTAPVSPHS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 232 |
| 15N chemical shifts | 63 |
| 1H chemical shifts | 452 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | N-terminus of SOCS5 | 1 |
Entities:
Entity 1, N-terminus of SOCS5 70 residues - 8116.588 Da.
| 1 | ARG | SER | LEU | ARG | GLN | ARG | LEU | GLN | ASP | THR | |
| 2 | VAL | GLY | LEU | CYS | PHE | PRO | MET | ARG | THR | TYR | |
| 3 | SER | LYS | GLN | SER | LYS | PRO | LEU | PHE | SER | ASN | |
| 4 | LYS | ARG | LYS | ILE | HIS | LEU | SER | GLU | LEU | MET | |
| 5 | LEU | GLU | LYS | CYS | PRO | PHE | PRO | ALA | GLY | SER | |
| 6 | ASP | LEU | ALA | GLN | LYS | TRP | HIS | LEU | ILE | LYS | |
| 7 | GLN | HIS | THR | ALA | PRO | VAL | SER | PRO | HIS | SER |
Samples:
sample_1: SOCS5 JIR, [U-100% 13C; U-100% 15N], 0.3 mM; TCEP 5 mM; Sodium Citrate 20 mM; sodium azide 0.02%; D2O, [U-100% 2H], 6%; H2O 94%
sample_conditions_1: ionic strength: 0.02 M; pH: 4.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | 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 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2, Bruker Biospin - collection, processing
NMRPipe v3.0, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView vv8.2.33, Johnson, One Moon Scientific - chemical shift assignment, peak picking
CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
SPARKY, Goddard - data analysis, peak picking
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
OPALp, Luginbuhl, Guntert, Billeter and Wuthrich - refinement
CANDID, Herrmann, Guntert and Wuthrich - NOE assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAA31646 BAF82883 BAG11225 BAG59372 |
| EMBL | CAB66830 |
| GB | AAB96648 AAD40484 AAH32862 AAH53015 AAI14097 |
| REF | NP_001039647 NP_001102744 NP_001120786 NP_001156362 NP_001253857 |
| SP | O54928 O75159 Q29RN6 |
| TPG | DAA24700 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts