BMRB Entry 15710
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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/BMR15710
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Title: Structural Basis of PxxDY Motif Recognition in SH3 Binding PubMed: 18644376
Deposition date: 2008-04-02 Original release date: 2008-08-28
Authors: Aitio, Olli; Hellman, Maarit; Kesti, Tapio; Kleino, Iivari; Samuilova, Olga; Tossavainen, Helena; Saksela, Kalle; Permi, Perttu
Citation: Aitio, Olli; Hellman, Maarit; Kesti, Tapio; Kleino, Iivari; Samuilova, Olga; Paakkonen, Kimmo; Tossavainen, Helena; Saksela, Kalle; Permi, Perttu. "Structural basis of PxxDY motif recognition in SH3 binding" J. Mol. Biol. 382, 167-178 (2008).
Assembly members:
Eps8L1SH3, polymer, 68 residues, Formula weight is not available
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):
Eps8L1SH3: GPLGSGALKWVLCNYDFQAR
NSSELSVKQRDVLEVLDDSR
KWWKVRDPAGQEGYVPYNIL
TPYPAAAS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 235 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 452 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | component 1 | 1 |
Entities:
Entity 1, component 1 68 residues - Formula weight is not available
| 1 | GLY | PRO | LEU | GLY | SER | GLY | ALA | LEU | LYS | TRP | ||||
| 2 | VAL | LEU | CYS | ASN | TYR | ASP | PHE | GLN | ALA | ARG | ||||
| 3 | ASN | SER | SER | GLU | LEU | SER | VAL | LYS | GLN | ARG | ||||
| 4 | ASP | VAL | LEU | GLU | VAL | LEU | ASP | ASP | SER | ARG | ||||
| 5 | LYS | TRP | TRP | LYS | VAL | ARG | ASP | PRO | ALA | GLY | ||||
| 6 | GLN | GLU | GLY | TYR | VAL | PRO | TYR | ASN | ILE | LEU | ||||
| 7 | THR | PRO | TYR | PRO | ALA | ALA | ALA | SER |
Samples:
sample_1: Eps8L1SH3, [U-13C; U-15N], 0.8 mM
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | 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 iHNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D iHNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_1 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCDCE)HE | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
VNMR, Varian - collection, processing
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - geometry optimization
NMR spectrometers:
- Varian INOVA 800 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAA91041 BAC11399 BAG59319 |
| GB | AAG03038 AAG03039 AAH15763 AAL76117 AAQ15231 |
| REF | NP_060199 NP_573441 XP_005259077 XP_011525352 |
| SP | Q8TE68 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts