BMRB Entry 18333
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18333
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Title: Solution structure of phosphorylated CRKL PubMed: 22581121
Deposition date: 2012-03-16 Original release date: 2012-08-29
Authors: Jankowski, Wojciech; Saleh, Tamjeed; Kalodimos, Charalampos
Citation: Jankowski, Wojciech; Saleh, Tamjeed; Pai, Ming-Tao; Sriram, Ganapathy; Birge, Raymond; Kalodimos, Charalampos. "Domain organization differences explain Bcr-Abl's preference for CrkL over CrkII" Nat. Chem. Biol. 8, 590-596 (2012).
Assembly members:
entity, polymer, 303 residues, 33897.184 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 | 701 |
| 15N chemical shifts | 235 |
| 1H chemical shifts | 1015 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | phosphorylated CRKL | 1 |
Entities:
Entity 1, phosphorylated CRKL 303 residues - 33897.184 Da.
| 1 | MET | SER | SER | ALA | ARG | PHE | ASP | SER | SER | ASP | ||||
| 2 | ARG | SER | ALA | TRP | TYR | MET | GLY | PRO | VAL | SER | ||||
| 3 | ARG | GLN | GLU | ALA | GLN | THR | ARG | LEU | GLN | GLY | ||||
| 4 | GLN | ARG | HIS | GLY | MET | PHE | LEU | VAL | ARG | ASP | ||||
| 5 | SER | SER | THR | CYS | PRO | GLY | ASP | TYR | VAL | LEU | ||||
| 6 | SER | VAL | SER | GLU | ASN | SER | ARG | VAL | SER | HIS | ||||
| 7 | TYR | ILE | ILE | ASN | SER | LEU | PRO | ASN | ARG | ARG | ||||
| 8 | PHE | LYS | ILE | GLY | ASP | GLN | GLU | PHE | ASP | HIS | ||||
| 9 | LEU | PRO | ALA | LEU | LEU | GLU | PHE | TYR | LYS | ILE | ||||
| 10 | HIS | TYR | LEU | ASP | THR | THR | THR | LEU | ILE | GLU | ||||
| 11 | PRO | ALA | PRO | ARG | TYR | PRO | SER | PRO | PRO | MET | ||||
| 12 | GLY | SER | VAL | SER | ALA | PRO | ASN | LEU | PRO | THR | ||||
| 13 | ALA | GLU | ASP | ASN | LEU | GLU | TYR | VAL | ARG | THR | ||||
| 14 | LEU | TYR | ASP | PHE | PRO | GLY | ASN | ASP | ALA | GLU | ||||
| 15 | ASP | LEU | PRO | PHE | LYS | LYS | GLY | GLU | ILE | LEU | ||||
| 16 | VAL | ILE | ILE | GLU | LYS | PRO | GLU | GLU | GLN | TRP | ||||
| 17 | TRP | SER | ALA | ARG | ASN | LYS | ASP | GLY | ARG | VAL | ||||
| 18 | GLY | MET | ILE | PRO | VAL | PRO | TYR | VAL | GLU | LYS | ||||
| 19 | LEU | VAL | ARG | SER | SER | PRO | HIS | GLY | LYS | HIS | ||||
| 20 | GLY | ASN | ARG | ASN | SER | ASN | SER | TYR | GLY | ILE | ||||
| 21 | PRO | GLU | PRO | ALA | HIS | ALA | PTR | ALA | GLN | PRO | ||||
| 22 | GLN | THR | THR | THR | PRO | LEU | PRO | ALA | VAL | SER | ||||
| 23 | GLY | SER | PRO | GLY | ALA | ALA | ILE | THR | PRO | LEU | ||||
| 24 | PRO | SER | THR | GLN | ASN | GLY | PRO | VAL | PHE | ALA | ||||
| 25 | LYS | ALA | ILE | GLN | LYS | ARG | VAL | PRO | CYS | ALA | ||||
| 26 | TYR | ASP | LYS | THR | ALA | LEU | ALA | LEU | GLU | VAL | ||||
| 27 | GLY | ASP | ILE | VAL | LYS | VAL | THR | ARG | MET | ASN | ||||
| 28 | ILE | ASN | GLY | GLN | TRP | GLU | GLY | GLU | VAL | ASN | ||||
| 29 | GLY | ARG | LYS | GLY | LEU | PHE | PRO | PHE | THR | HIS | ||||
| 30 | VAL | LYS | ILE | PHE | ASP | PRO | GLN | ASN | PRO | ASP | ||||
| 31 | GLU | ASN | GLU |
Samples:
sample_1: potassium phosphate0.3 – 0.8 mM; potassium chloride0.3 – 0.8 mM; beta-mercaptoethanol0.3 – 0.8 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.15 M; pH: 6.8; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 18321 |
| PDB | |
| DBJ | BAF85598 BAG72855 |
| EMBL | CAA42199 CAG30309 CAK54415 CAK54714 |
| GB | AAH43500 EAX02932 EAX02933 EAX02934 EFB28378 |
| REF | NP_001244412 NP_005198 XP_002743611 XP_002834682 XP_002926331 |
| SP | P46109 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts