BMRB Entry 15923
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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/BMR15923
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Citation: Wright, Nathan; Inman, Keith; Levine, Jonathan; Cannon, Brian; Varney, Kristen; Weber, David. "Refinement of the solution structure and dynamic properties of Ca2+-bound rat S100B" J. Biomol. NMR 42, 279-286 (2008).
PubMed: 18949447
Assembly members:
rat S100B, polymer, 91 residues, 10649.006 Da.
CA, non-polymer, 40.078 Da.
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET 11a
Entity Sequences (FASTA):
rat S100B: SELEKAMVALIDVFHQYSGR
EGDKHKLKKSELKELINNEL
SHFLEEIKEQEVVDKVMETL
DEDGDGECDFQEFMAFVSMV
TTACHEFFEHE
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- RDCs
| Data type | Count |
| heteronuclear NOE values | 157 |
| residual dipolar couplings | 167 |
| T1 relaxation values | 158 |
| T2 relaxation values | 158 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, chain 1 | 1 |
| 2 | entity_1, chain 2 | 1 |
| 3 | CALCIUM ION_1 | 2 |
| 4 | CALCIUM ION_2 | 2 |
| 5 | CALCIUM ION_3 | 2 |
Entities:
Entity 1, entity_1, chain 1 91 residues - 10649.006 Da.
| 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 2, CALCIUM ION_1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: S100B, [U-15N], 400 uM; CaCl2 10 mM; NaCl 25 mM; MES, pH 6.7, [U-99% 2H], 10 mM; DTT 10 mM; NaN3 .1 mM
sample_conditions_1: ionic strength: 50 mM; pH: 6.7; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| IPAP | sample_1 | anisotropic | sample_conditions_1 |
| HNCOCA | sample_1 | anisotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - processing, structure solution
NMR spectrometers:
- Bruker DMX 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| BMRB | 4001 4099 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 |