BMRB Entry 26525
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26525
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Citation: Salmon, Loic; Ortega Roldan, Jose-Luis; Lescop, Ewen; Licinio, Antoine; van Nuland, Nico; Jensen, Malene; Blackledge, Martin. "Structure, dynamics, and kinetics of weak protein-protein complexes from NMR spin relaxation measurements of titrated solutions." Angew. Chem. Int. Ed. Engl. 50, 3755-3759 (2011).
PubMed: 21425222
Assembly members:
SH3_domain, polymer, 65 residues, Formula weight is not available
Ubiquitin, polymer, 82 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 Vector: BL21(DE3)
Entity Sequences (FASTA):
SH3_domain: GKIKAKEYCRTLFAYEGTNN
DELTFKEGEIIHLISKETGE
AGWWRGELNGKEGVFPDNFA
VQINE
Ubiquitin: HHHHHHMQIFVKTLTGKTIT
LEVEPSDTIENVKAKIQDKE
GIPPDQQRLIFAGKQLEDGR
TLSDYNIQKESTLHLVLRLR
GG
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| T1 relaxation values | 456 |
| T2 relaxation values | 456 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CD2AP SH3 Domain | 1 |
| 2 | Ubiquitin | 2 |
Entities:
Entity 1, CD2AP SH3 Domain 65 residues - Formula weight is not available
| 1 | GLY | LYS | ILE | LYS | ALA | LYS | GLU | TYR | CYS | ARG | ||||
| 2 | THR | LEU | PHE | ALA | TYR | GLU | GLY | THR | ASN | ASN | ||||
| 3 | ASP | GLU | LEU | THR | PHE | LYS | GLU | GLY | GLU | ILE | ||||
| 4 | ILE | HIS | LEU | ILE | SER | LYS | GLU | THR | GLY | GLU | ||||
| 5 | ALA | GLY | TRP | TRP | ARG | GLY | GLU | LEU | ASN | GLY | ||||
| 6 | LYS | GLU | GLY | VAL | PHE | PRO | ASP | ASN | PHE | ALA | ||||
| 7 | VAL | GLN | ILE | ASN | GLU |
Entity 2, Ubiquitin 82 residues - Formula weight is not available
Ubiquitin contains a His-tag (6 successive Histidines)
| 1 | HIS | HIS | HIS | HIS | HIS | HIS | MET | GLN | ILE | PHE | ||||
| 2 | VAL | LYS | THR | LEU | THR | GLY | LYS | THR | ILE | THR | ||||
| 3 | LEU | GLU | VAL | GLU | PRO | SER | ASP | THR | ILE | GLU | ||||
| 4 | ASN | VAL | LYS | ALA | LYS | ILE | GLN | ASP | LYS | GLU | ||||
| 5 | GLY | ILE | PRO | PRO | ASP | GLN | GLN | ARG | LEU | ILE | ||||
| 6 | PHE | ALA | GLY | LYS | GLN | LEU | GLU | ASP | GLY | ARG | ||||
| 7 | THR | LEU | SER | ASP | TYR | ASN | ILE | GLN | LYS | GLU | ||||
| 8 | SER | THR | LEU | HIS | LEU | VAL | LEU | ARG | LEU | ARG | ||||
| 9 | GLY | GLY |
Samples:
sample_SH3_free: SH3_domain, [U-100% 15N], 0.250 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%
sample_Ubiquitin_free: Ubiquitin, [U-100% 15N], 0.250 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%
sample_mixture_p1: Ubiquitin Free, [U-100% 15N], 0.173 mM; SH3 Free, [U-100% 15N], 0.554 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%
sample_mixture_p2: Ubiquitin Free, [U-100% 15N], 0.231 mM; SH3 Free, [U-100% 15N], 0.345 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%
sample_mixture_p3: Ubiquitin Free, [U-100% 15N], 0.387 mM; SH3 Free, [U-100% 15N], 0.185 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%
sample_conditions_1: temperature: 308 K; pH: 6.0; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC 1 | sample_SH3_free | isotropic | sample_conditions_1 |
| 1H-15N HSQC 2 | sample_Ubiquitin_free | isotropic | sample_conditions_1 |
| 1H-15N HSQC 3 | sample_mixture_p1 | isotropic | sample_conditions_1 |
| 1H-15N HSQC 4 | sample_mixture_p2 | isotropic | sample_conditions_1 |
| 1H-15N HSQC 5 | sample_mixture_p3 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
NMR spectrometers:
- Varian NMR Direct-Drive Systems 600 MHz