BMRB Entry 5461
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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/BMR5461
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
Citation: Mallis, Robert; Brazin, Kristine; Fulton, D.; Andreotti, Amy. "Structural Characterization of a Proline-driven Conformational Switch within the
Itk SH2 Domain" Nat. Struct. Biol. 9, 900-905 (2002).
PubMed: 12402030
Assembly members:
Interleukin-2 tyrosine kinase src homology 2 domain, polymer, 118 residues, 12700 Da.
Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Interleukin-2 tyrosine kinase src homology 2 domain: GSPNNLETYEWYNKSISRDK
AEKLLLDTGKEGAFMVRDSR
TPGTYTVSVFTKAIISENPC
IKHYHIKETNDSPKRYYVAE
KYVFDSIPLLIQYHQYNGGG
LVTRLRYPVCGSPGIHRD
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 1483 |
| 13C chemical shifts | 724 |
| 15N chemical shifts | 234 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Itk SH2 | 1 |
Entities:
Entity 1, Itk SH2 118 residues - 12700 Da.
| 1 | GLY | SER | PRO | ASN | ASN | LEU | GLU | THR | TYR | GLU | ||||
| 2 | TRP | TYR | ASN | LYS | SER | ILE | SER | ARG | ASP | LYS | ||||
| 3 | ALA | GLU | LYS | LEU | LEU | LEU | ASP | THR | GLY | LYS | ||||
| 4 | GLU | GLY | ALA | PHE | MET | VAL | ARG | ASP | SER | ARG | ||||
| 5 | THR | PRO | GLY | THR | TYR | THR | VAL | SER | VAL | PHE | ||||
| 6 | THR | LYS | ALA | ILE | ILE | SER | GLU | ASN | PRO | CYS | ||||
| 7 | ILE | LYS | HIS | TYR | HIS | ILE | LYS | GLU | THR | ASN | ||||
| 8 | ASP | SER | PRO | LYS | ARG | TYR | TYR | VAL | ALA | GLU | ||||
| 9 | LYS | TYR | VAL | PHE | ASP | SER | ILE | PRO | LEU | LEU | ||||
| 10 | ILE | GLN | TYR | HIS | GLN | TYR | ASN | GLY | GLY | GLY | ||||
| 11 | LEU | VAL | THR | ARG | LEU | ARG | TYR | PRO | VAL | CYS | ||||
| 12 | GLY | SER | PRO | GLY | ILE | HIS | ARG | ASP |
Samples:
sample_1: Interleukin-2 tyrosine kinase src homology 2 domain, [U-95% 13C; U-98% 15N], 1.0 mM; NaCl 75 mM; KPO4 50 mM
sample_conditions: pH: 7.4; temperature: 298 K; ionic strength: 0.15 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | not available | not available | not available |
| 3D 1H-15N TOCSY | not available | not available | not available |
| 3D 1H-13C NOESY | not available | not available | not available |
| 3D 15N-15N-1H NOESY | not available | not available | not available |
| 3D 1H-13C HCCH | not available | not available | not available |
| 3D 1H-13C-15N HNCACB | not available | not available | not available |
| 3D 1H-13C-15N HN(CO)CACB | not available | not available | not available |
| 2D 1H-15N HSQC | not available | not available | not available |
| 2D 1H-1H NOESY | not available | not available | not available |
| 2D 1H-1H TOCSY | not available | not available | not available |
| 2D 1H-1H COSY | not available | not available | not available |
| 2D 1H-1H ROESY | not available | not available | not available |
Software:
Xwinnmr - spectrum acquisition, phasing
NmrView v4.1.3 - assignments, restraint generation
NMR spectrometers:
- Bruker DRX 500 MHz
Related Database Links:
| BMRB | 15912 16809 |
| PDB | |
| DBJ | BAA03129 BAC29830 BAE32118 |
| GB | AAA39337 AAA40518 AAI28375 AAI28376 EDL33821 |
| REF | NP_001102295 NP_001268894 NP_001268895 NP_001268897 NP_034713 |
| SP | Q03526 |
| AlphaFold | Q03526 Q03526 Q03526 Q03526 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks