BMRB Entry 19955
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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/BMR19955
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Title: solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1
Deposition date: 2014-05-07 Original release date: 2014-05-27
Authors: Zhao, Debiao; Wang, Chongyuan; Zhang, Jiahai; Wu, Jihui; Shi, Yunyu; Zhang, Zhiyong; Gong, Qingguo
Citation: Zhao, Debiao; Wang, Xuejuan; Peng, Junhui; Wang, Chongyuan; Li, Fudong; Sun, Qianqian; Zhang, Yibo; Zhang, Jiahai; Cai, Gang; Zuo, Xiaobing; Wu, Jihui; Shi, Yunyu; Zhang, Zhiyong; Gong, Qingguo. "Structural Investigation of the Interaction between the Tandem SH3 Domains of c-Cbl-Associated Protein and Vinculin" Not known ., .-..
Assembly members:
entity, polymer, 143 residues, 16663.225 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
Entity Sequences (FASTA):
entity: QHMSGSEMRPARAKFDFKAQ
TLKELPLQKGDIVYIYKQID
QNWYEGEHHGRVGIFPRTYI
ELLPPAEKAQPKKLTPVQVL
EYGEAIAKFNFNGDTQVEMS
FRKGERITLLRQVDENWYEG
RIPGTSRQGIFPITYVDVIK
RPL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 551 |
| 15N chemical shifts | 132 |
| 1H chemical shifts | 970 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | tandem SH3 domain of CAP | 1 |
Entities:
Entity 1, tandem SH3 domain of CAP 143 residues - 16663.225 Da.
| 1 | GLN | HIS | MET | SER | GLY | SER | GLU | MET | ARG | PRO | ||||
| 2 | ALA | ARG | ALA | LYS | PHE | ASP | PHE | LYS | ALA | GLN | ||||
| 3 | THR | LEU | LYS | GLU | LEU | PRO | LEU | GLN | LYS | GLY | ||||
| 4 | ASP | ILE | VAL | TYR | ILE | TYR | LYS | GLN | ILE | ASP | ||||
| 5 | GLN | ASN | TRP | TYR | GLU | GLY | GLU | HIS | HIS | GLY | ||||
| 6 | ARG | VAL | GLY | ILE | PHE | PRO | ARG | THR | TYR | ILE | ||||
| 7 | GLU | LEU | LEU | PRO | PRO | ALA | GLU | LYS | ALA | GLN | ||||
| 8 | PRO | LYS | LYS | LEU | THR | PRO | VAL | GLN | VAL | LEU | ||||
| 9 | GLU | TYR | GLY | GLU | ALA | ILE | ALA | LYS | PHE | ASN | ||||
| 10 | PHE | ASN | GLY | ASP | THR | GLN | VAL | GLU | MET | SER | ||||
| 11 | PHE | ARG | LYS | GLY | GLU | ARG | ILE | THR | LEU | LEU | ||||
| 12 | ARG | GLN | VAL | ASP | GLU | ASN | TRP | TYR | GLU | GLY | ||||
| 13 | ARG | ILE | PRO | GLY | THR | SER | ARG | GLN | GLY | ILE | ||||
| 14 | PHE | PRO | ILE | THR | TYR | VAL | ASP | VAL | ILE | LYS | ||||
| 15 | ARG | PRO | LEU |
Samples:
sample_1: sodium phosphate 50 mM; protein, [U-100% 15N], 0.5 mM; EDTA 1 mM; H2O 90%; D2O 10%
sample_2: sodium phosphate 50 mM; EDTA 1 mM; protein, [U-100% 13C; U-100% 15N], 0.5 mM; H2O 90%; D2O 10%
sample_3: sodium phosphate 50 mM; EDTA 1 mM; protein, [U-100% 13C; U-100% 15N], 0.5 mM; H2O 90%; D2O 10%
sample_4: sodium phosphate, [U-100% 15N], 50 mM; EDTA 1 mM; C12E5 4.5%; protein, [U-100% 15N], 0.5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 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 HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_3 | isotropic | sample_conditions_1 |
| IPAP scheme | sample_4 | anisotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker DMX 500 MHz
- Bruker DMX 600 MHz
Related Database Links:
| PDB | |
| EMBL | CAE45892 CAJ97431 |
| GB | AAI60134 AAK37563 AAK37564 AAK37565 EHB15262 |
| REF | NP_001030126 NP_001030127 NP_001030128 NP_001277223 XP_001501975 |
| SP | Q9BX66 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts