BMRB Entry 16219
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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/BMR16219
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Title: Solution structure of SH3 domain of PTK6 PubMed: 19401189
Deposition date: 2009-03-18 Original release date: 2009-10-16
Authors: Lee, Weontae; Ko, Sunggeon
Citation: Ko, Sunggeon; Ahn, Kyo-Eun; Lee, Young-Min; Ahn, Hee-Chul; Lee, Weontae. "Structural basis of the auto-inhibition mechanism of nonreceptor tyrosine kinase PTK6." Biochem. Biophys. Res. Commun. 384, 236-242 (2009).
Assembly members:
SH_domain, polymer, 72 residues, 8334.291 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SH_domain: MVSRDQAHLGPKYVGLWDFK
SRTDEELSFRAGDVFHVARK
EEQWWWATLLDEAGGAVAQG
YVPHNYLAERET
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 256 |
| 15N chemical shifts | 72 |
| 1H chemical shifts | 440 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH_domain | 1 |
Entities:
Entity 1, SH_domain 72 residues - 8334.291 Da.
| 1 | MET | VAL | SER | ARG | ASP | GLN | ALA | HIS | LEU | GLY | ||||
| 2 | PRO | LYS | TYR | VAL | GLY | LEU | TRP | ASP | PHE | LYS | ||||
| 3 | SER | ARG | THR | ASP | GLU | GLU | LEU | SER | PHE | ARG | ||||
| 4 | ALA | GLY | ASP | VAL | PHE | HIS | VAL | ALA | ARG | LYS | ||||
| 5 | GLU | GLU | GLN | TRP | TRP | TRP | ALA | THR | LEU | LEU | ||||
| 6 | ASP | GLU | ALA | GLY | GLY | ALA | VAL | ALA | GLN | GLY | ||||
| 7 | TYR | VAL | PRO | HIS | ASN | TYR | LEU | ALA | GLU | ARG | ||||
| 8 | GLU | THR |
Samples:
sample_1: SH domain, [U-99% 15N], 0.2 mM; H2O 90%; D2O 10%
sample_2: SH domain, [U-99% 13C; U-99% 15N], 0.2 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.2.5, P.GUNTERT ET AL. - refinement, structure solution
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
Molmol, Koradi, Billeter and Wuthrich - structure analysis
PyMol, DeLano Scientific LLC. - peak picking, structure analysis
NMR spectrometers:
- Bruker DRX 500 MHz
- Varian INOVA 900 MHz
Related Database Links:
| PDB | |
| DBJ | BAG37660 BAG63163 BAI45737 |
| EMBL | CAA55295 |
| GB | AAC34935 AAH35843 EAW75262 EAW75263 EHH19516 |
| REF | NP_001243287 NP_005966 XP_003280201 XP_003809959 XP_003904548 |
| SP | Q13882 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts