BMRB Entry 7306
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7306
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Casares, Salvador; AB, Eiso; Eshuis, Henk; Lopez-Mayorga, Obdulio; van Nuland, Nico; Conejero-Lara, Francisco. "The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3" BMC Struct. Biol. 7, .-. (2007).
PubMed: 17407569
Assembly members:
R21A Spc-SH3 bound, polymer, 62 residues, Formula weight is not available
p41-SH3, polymer, 11 residues, Formula weight is not available
Natural source: Common Name: Chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
R21A Spc-SH3 bound: MDETGKELVLALYDYQEKSP
AEVTMKKGDILTLLNSTNKD
WWKVEVNDRQGFVPAAYVKK
LD
p41-SH3: XAPSYSPPPPP
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 471 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | R21A Spc-SH3 monomer | 1 |
| 2 | polyproline_ligand | 2 |
Entities:
Entity 1, R21A Spc-SH3 monomer 62 residues - Formula weight is not available
| 1 | MET | ASP | GLU | THR | GLY | LYS | GLU | LEU | VAL | LEU | ||||
| 2 | ALA | LEU | TYR | ASP | TYR | GLN | GLU | LYS | SER | PRO | ||||
| 3 | ALA | GLU | VAL | THR | MET | LYS | LYS | GLY | ASP | ILE | ||||
| 4 | LEU | THR | LEU | LEU | ASN | SER | THR | ASN | LYS | ASP | ||||
| 5 | TRP | TRP | LYS | VAL | GLU | VAL | ASN | ASP | ARG | GLN | ||||
| 6 | GLY | PHE | VAL | PRO | ALA | ALA | TYR | VAL | LYS | LYS | ||||
| 7 | LEU | ASP |
Entity 2, polyproline_ligand 11 residues - Formula weight is not available
| 1 | ACE | ALA | PRO | SER | TYR | SER | PRO | PRO | PRO | PRO | ||||
| 2 | PRO |
Samples:
sample_2: R21A Spc-SH3 bound 2 mM; P41 5.2; H2O 90%; D2O 10%; d5-glycine 20 mM
conditions_1: pH: 3.5; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_2 | not available | conditions_1 |
| 2D NOESY | sample_2 | not available | conditions_1 |
Software:
NMRView v5 -
NMR spectrometers:
- Bruker DRX 750MHz MHz