BMRB Entry 15144
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15144
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Title: Side-chain relaxation in SH3 domain from alpha-spectrin measured at multiple temperatures PubMed: 17488010
Deposition date: 2007-02-24 Original release date: 2007-05-10
Authors: Xue, Yi; Pavlova, Maria; Ryabov, Yaroslav; Reif, Bernd; Skrynnikov, Nikolai
Citation: Xue, Yi; Pavlova, Maria; Ryabov, Yaroslav; Reif, Bernd; Skrynnikov, Nikolai. "Methyl rotation barriers in proteins from 2H relaxation data. Implications for protein structure" J. Am. Chem. Soc. 129, 6827-6838 (2007).
Assembly members:
SH3_domain_from_chicken_alpha-spectrin, polymer, 62 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a
Entity Sequences (FASTA):
SH3_domain_from_chicken_alpha-spectrin: MDETGKELVLALYDYQEKSP
REVTMKKGDILTLLNSTNKD
WWKVEVNDRQGFVPAAYVKK
LD
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- order_parameters
| Data type | Count |
| order parameters | 244 |
| T1 relaxation values | 252 |
| T2 relaxation values | 252 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit 1 | 1 |
Entities:
Entity 1, unit 1 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 | ARG | 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 |
Samples:
pyruvate_sample: SH3, [U-15N; U-2H; amide 90%-1H; Leu, Val, Ile-g methyl 40%-1H; Leu, Val, Ile-g methyl 100%-13C], 1.0 mM; H2O 90%; D2O 10%
glucose_sample: SH3, [U-15N; U-13C; 50%-2H, amide 10%-2H], 1.5 mM; H2O 90%; D2O 10%
pyruvate_sample_condition_1: pH: 3.5; temperature: 283 K
pyruvate_sample_condition_2: pH: 3.5; temperature: 290 K
pyruvate_sample_condition_3: pH: 3.5; temperature: 297 K
pyruvate_sample_condition_4: pH: 3.5; temperature: 303 K
glucose_sample_condition_1: pH: 3.5; temperature: 283 K
glucose_sample_condition_2: pH: 3.5; temperature: 290 K
glucose_sample_condition_3: pH: 3.5; temperature: 297 K
glucose_sample_condition_4: pH: 3.5; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| methyl 2H R1 | pyruvate_sample | isotropic | pyruvate_sample_condition_1 |
| methyl 2H R2 | pyruvate_sample | isotropic | pyruvate_sample_condition_1 |
| methyl 2H R1 | glucose_sample | isotropic | glucose_sample_condition_1 |
| methyl 2H R2 | glucose_sample | isotropic | glucose_sample_condition_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| BMRB | 15013 17915 |
| PDB | |
| DBJ | BAD52438 BAD93097 BAG57892 BAG62120 BAG72795 |
| EMBL | CAA29435 CAA32663 CAA62350 CAB53710 CAF90367 |
| GB | AAA51702 AAA51790 AAA52468 AAB41498 AAB60364 |
| REF | NP_001036003 NP_001090674 NP_001091958 NP_001107628 NP_001123910 |
| SP | P07751 P16086 P16546 Q13813 |
| TPG | DAA24188 |
| AlphaFold | P16086 P07751 Q13813 P16546 |