BMRB Entry 4099
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4099
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Citation: Rustandi, Richard; Drohat, Alexander; Baldisseri, Donna; Wilder, Paul; Weber, David. "The Ca2+-Dependent Interaction of S100B(bb)with a Peptide Derived from p53" Biochemistry 37, 1951-1960 (1998).
Assembly members:
S100B beta, polymer, 91 residues, Formula weight is not available
p53, polymer, 22 residues, 2500 Da.
CALCIUM ION, non-polymer, 40.078 Da.
Natural source: Common Name: rat Taxonomy ID: not available Superkingdom: eucaryote Kingdom: Animalia Genus/species: Rattus novergicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
S100B beta: SELEKAMVALIDVFHQYSGR
EGDKHKLKKSELKELINNEL
SHFLEEIKEQEVVDKVMETL
DEDGDGECDFQEFMAFVSMV
TTACHEFFEHE
p53: XHLKSKKGQSTSRHKKLMFK
TX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 594 |
| 15N chemical shifts | 186 |
| 1H chemical shifts | 1274 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | a_chain | 1 |
| 2 | b_chain | 1 |
| 3 | Ca_1 | 3 |
| 4 | Ca_2 | 3 |
| 5 | p53_peptide_1 | 2 |
| 6 | p53_peptide_2 | 2 |
Entities:
Entity 1, a_chain 91 residues - Formula weight is not available
| 1 | SER | GLU | LEU | GLU | LYS | ALA | MET | VAL | ALA | LEU | ||||
| 2 | ILE | ASP | VAL | PHE | HIS | GLN | TYR | SER | GLY | ARG | ||||
| 3 | GLU | GLY | ASP | LYS | HIS | LYS | LEU | LYS | LYS | SER | ||||
| 4 | GLU | LEU | LYS | GLU | LEU | ILE | ASN | ASN | GLU | LEU | ||||
| 5 | SER | HIS | PHE | LEU | GLU | GLU | ILE | LYS | GLU | GLN | ||||
| 6 | GLU | VAL | VAL | ASP | LYS | VAL | MET | GLU | THR | LEU | ||||
| 7 | ASP | GLU | ASP | GLY | ASP | GLY | GLU | CYS | ASP | PHE | ||||
| 8 | GLN | GLU | PHE | MET | ALA | PHE | VAL | SER | MET | VAL | ||||
| 9 | THR | THR | ALA | CYS | HIS | GLU | PHE | PHE | GLU | HIS | ||||
| 10 | GLU |
Entity 3, Ca_1
Entity 2, p53_peptide_1 22 residues - 2500 Da.
| 1 | X | HIS | LEU | LYS | SER | LYS | LYS | GLY | GLN | SER | ||||
| 2 | THR | SER | ARG | HIS | LYS | LYS | LEU | MET | PHE | LYS | ||||
| 3 | THR | X |
Samples:
sample_one: S100B beta3.0 – 3.3 mM; p534.8 – 5.3 mM; EDTA 0.1 mM; NaN3 .34 mM; DTT 5 mM; NaCl 17 mM; Tris-HCl-d11 10 mM; D2O 10%; CaCl2 6.3 mM
sample_two: S100B beta, [U-15N], 3.0 – 3.3 mM; p534.8 – 5.3 mM; EDTA 0.1 mM; NaN3 .34 mM; DTT 5 mM; NaCl 17 mM; Tris-HCl-d11 10 mM; D2O 10%; CaCl2 6.3 mM
sample_three: S100B beta, [U-13C;U-15N], 3.0 – 3.3 mM; p534.8 – 5.3 mM; EDTA 0.1 mM; NaN3 .34 mM; DTT 5 mM; NaCl 17 mM; Tris-HCl-d11 10 mM; D2O 10%; CaCl2 6.3 mM
sample_conditions_one: pH: 6.5; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| not available | not available | not available | sample_conditions_one |
Software:
No software information available
NMR spectrometers:
- Bruker DMX600 600.13 MHz
Related Database Links:
| BMRB | 15923 4001 4105 4702 |
| PDB | |
| DBJ | BAB43945 BAE22214 BAE22413 BAE36647 BAE88979 |
| EMBL | CAA25567 CAG46920 |
| GB | AAA03075 AAA42096 AAA60367 AAH01766 AAH61178 |
| PRF | 2003367B |
| REF | NP_001076199 NP_001233735 NP_001247455 NP_001270589 NP_006263 |
| SP | P04271 P04631 P50114 Q6YNR6 |
| AlphaFold | P04271 P04631 P50114 Q6YNR6 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks