BMRB Entry 18425
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18425
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Title: Resonance Assignments of Ca2+-bound human S100A11 PubMed: 22825890
Deposition date: 2012-04-25 Original release date: 2012-09-14
Authors: Hung, Kuo-Wei; Chang, Yuan-Ming; Yu, Chin
Citation: Hung, Kuo-Wei; Chang, Yuan-Ming; Yu, Chin. "Resonance assignments of Ca2+-bound human S100A11." Biomol. NMR Assignments 7, 211-214 (2013).
Assembly members:
S100A11, polymer, 105 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.
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
Entity Sequences (FASTA):
S100A11: MAKISSPTETERCIESLIAV
FQKYAGKDGYNYTLSKTEFL
SFMNTELAAFTKNQKDPGVL
DRMMKKLDTNSDGQLDFSEF
LNLIGGLAMACHDSFLKAVP
SQKRT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 354 |
| 15N chemical shifts | 87 |
| 1H chemical shifts | 498 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100A11, chain 1 | 1 |
| 2 | S100A11, chain 2 | 1 |
| 3 | Ca2+, 1 | 2 |
| 4 | Ca2+, 2 | 2 |
Entities:
Entity 1, S100A11, chain 1 105 residues - Formula weight is not available
| 1 | MET | ALA | LYS | ILE | SER | SER | PRO | THR | GLU | THR | ||||
| 2 | GLU | ARG | CYS | ILE | GLU | SER | LEU | ILE | ALA | VAL | ||||
| 3 | PHE | GLN | LYS | TYR | ALA | GLY | LYS | ASP | GLY | TYR | ||||
| 4 | ASN | TYR | THR | LEU | SER | LYS | THR | GLU | PHE | LEU | ||||
| 5 | SER | PHE | MET | ASN | THR | GLU | LEU | ALA | ALA | PHE | ||||
| 6 | THR | LYS | ASN | GLN | LYS | ASP | PRO | GLY | VAL | LEU | ||||
| 7 | ASP | ARG | MET | MET | LYS | LYS | LEU | ASP | THR | ASN | ||||
| 8 | SER | ASP | GLY | GLN | LEU | ASP | PHE | SER | GLU | PHE | ||||
| 9 | LEU | ASN | LEU | ILE | GLY | GLY | LEU | ALA | MET | ALA | ||||
| 10 | CYS | HIS | ASP | SER | PHE | LEU | LYS | ALA | VAL | PRO | ||||
| 11 | SER | GLN | LYS | ARG | THR |
Entity 2, Ca2+, 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: S100A11, [U-100% 13C; U-100% 15N], 1 mM; TRIS 25 mM; sodium chloride 100 mM; calcium chloride 5 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.0725 M; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection, processing
SPARKY, Goddard - chemical shift assignment, data analysis
NMR spectrometers:
- Varian VNMRS 700 MHz
Related Database Links:
| PDB | |
| DBJ | BAA07597 BAA08354 BAA23325 BAG35117 BAG73698 |
| EMBL | CAA56492 |
| GB | AAH01410 AAH14354 AAP36737 AAP88914 AAX32121 |
| REF | NP_001244459 NP_005611 XP_002810252 XP_003259306 XP_003339045 |
| SP | P31949 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts