BMRB Entry 15407
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15407
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Title: Third SH3 domain of CD2AP PubMed: 17922258
Deposition date: 2007-07-28 Original release date: 2007-10-16
Authors: van Nuland, Nico; Ortega Roldan, Jose-Luis; Romero Romero, Maria-Luisa; AB, Eiso; Ora, Ari; Lopez Mayorga, Obdulio; Azuaga, Ana
Citation: Ortega Roldan, Jose-Luis; Romero Romero, Maria-Luisa; Ora, Ari; AB, Eiso; Lopez Mayorga, Obdulio; Azuaga, Ana; van Nuland, Nico. "The high resolution NMR structure of the third SH3 domain of CD2AP" J. Biomol. NMR 39, 331-336 (2007).
Assembly members:
SH3-C, polymer, 64 residues, 7148.993 Da.
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SH3-C: GAMGAKEYCRTLFPYTGTNE
DELTFREGEIIHLISKETGE
AGWWKGELNGKEGVFPDNFA
VQIS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 275 |
| 15N chemical shifts | 68 |
| 1H chemical shifts | 433 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SH3-C | 1 |
Entities:
Entity 1, SH3-C 64 residues - 7148.993 Da.
| 1 | GLY | ALA | MET | GLY | ALA | LYS | GLU | TYR | CYS | ARG | ||||
| 2 | THR | LEU | PHE | PRO | TYR | THR | GLY | THR | ASN | GLU | ||||
| 3 | ASP | GLU | LEU | THR | PHE | ARG | GLU | GLY | GLU | ILE | ||||
| 4 | ILE | HIS | LEU | ILE | SER | LYS | GLU | THR | GLY | GLU | ||||
| 5 | ALA | GLY | TRP | TRP | LYS | GLY | GLU | LEU | ASN | GLY | ||||
| 6 | LYS | GLU | GLY | VAL | PHE | PRO | ASP | ASN | PHE | ALA | ||||
| 7 | VAL | GLN | ILE | SER |
Samples:
sample_1: SH3-C, [U-98% 13C; U-98% 15N], 1 mM
sample_2: SH3-C, [U-98% 15N], 1 mM
sample_3: SH3-C 1 mM
sample_4: SH3-C 1 mM
sample_conditions_1: ionic strength: 100 mM; pH: 2.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Varian Uniform NMR System 600 MHz
- Varian INOVA 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts