Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15650
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Citation: Bertini, Ivano; Kursula, Petri; Luchinat, Claudio; Parigi, Giacomo; Vahokoski, Juha; Yuan, Jing. "Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples" J. Am. Chem. Soc. 131, 5134-5144 (2009).
PubMed: 19317469
Assembly members:
calmodulin, polymer, 148 residues, 16650.387 Da.
CA, 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 Vector: pET16b-CaM
Data type | Count |
13C chemical shifts | 419 |
15N chemical shifts | 145 |
1H chemical shifts | 145 |
T1 relaxation values | 110 |
T2 relaxation values | 110 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Calmodulin | 1 |
2 | Calcium ions, 1 | 2 |
3 | Calcium ions, 2 | 2 |
4 | Calcium ions, 3 | 2 |
5 | Calcium ions, 4 | 2 |
Entity 1, Calmodulin 148 residues - 16650.387 Da.
1 | ALA | ASP | GLN | LEU | THR | GLU | GLU | GLN | ILE | ALA | ||||
2 | GLU | PHE | LYS | GLU | ALA | PHE | SER | LEU | PHE | ASP | ||||
3 | LYS | ASP | GLY | ASP | GLY | THR | ILE | THR | THR | LYS | ||||
4 | GLU | LEU | GLY | THR | VAL | MET | ARG | SER | LEU | GLY | ||||
5 | GLN | ASN | PRO | THR | GLU | ALA | GLU | LEU | GLN | ASP | ||||
6 | MET | ILE | ASN | GLU | VAL | ASP | ALA | ASP | GLY | ASP | ||||
7 | GLY | THR | ILE | ASP | PHE | PRO | GLU | PHE | LEU | THR | ||||
8 | MET | MET | ALA | ARG | LYS | MET | LYS | ASP | THR | ASP | ||||
9 | SER | GLU | GLU | GLU | ILE | ARG | GLU | ALA | PHE | ARG | ||||
10 | VAL | PHE | ASP | LYS | ASP | GLY | ASN | GLY | TYR | ILE | ||||
11 | SER | ALA | ALA | GLU | LEU | ARG | HIS | VAL | MET | THR | ||||
12 | ASN | LEU | GLY | GLU | LYS | LEU | THR | ASP | GLU | GLU | ||||
13 | VAL | ASP | GLU | MET | ILE | ARG | GLU | ALA | ASP | ILE | ||||
14 | ASP | GLY | ASP | GLY | GLN | VAL | ASN | TYR | GLU | GLU | ||||
15 | PHE | VAL | GLN | MET | MET | THR | ALA | LYS |
Entity 2, Calcium ions, 1 - Ca - 40.078 Da.
1 | CA |
sample_1: calmodulin, [U-100% 13C; U-100% 15N], 0.4 mM; Hepes 30 mM; NaCl 150 mM; TCEP 0.5 mM
sample_2: calmodulin, [U-100% 15N], 0.4 mM; Hepes 30 mM; NaCl 150 mM; TCEP 0.5 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 7.5; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
IPAP | sample_2 | isotropic | sample_conditions_1 |
15N relaxation measurement R1 | sample_2 | isotropic | sample_conditions_1 |
15N relaxation measurement R2 | sample_2 | isotropic | sample_conditions_1 |
TOPSPIN, Bruker Biospin - collection, processing
CARA v2.0, Keller and Wuthrich - chemical shift assignment
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
BMRB | 15184 15185 15186 15187 15188 15191 15470 15624 15852 16418 16465 16764 17264 17360 17771 17807 18027 18028 18556 19036 19238 19586 19604 25253 25257 26503 26626 26627 4056 4270 4284 4310 |
PDB | |
DBJ | BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 |
EMBL | CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 |
GB | AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 |
PIR | JC1305 MCON |
PRF | 0608335A 0711223A |
REF | NP_001008160 NP_001009759 NP_001039714 NP_001040234 NP_001080864 |
SP | O16305 P02594 P02595 P11121 P21251 |
TPG | DAA13808 DAA18029 DAA19590 DAA24777 DAA24988 |
AlphaFold | P11121 P21251 O16305 P02594 P02595 |
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