BMRB Entry 4284
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4284
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Title: NMR Solution Structure of a Complex of Calmodulin with a Binding Peptide of the Ca2+-Pump
Deposition date: 1998-12-16 Original release date: 1999-10-01
Authors: Elshorst, Bettina; Hennig, Mirko; Foersterling, Holger; Diener, Alexander; Maurer, Marcus; Schulte, Petra; Schwalbe, Harald; Griesinger, Christian; Krebs, Joachim; Schmid, Holger; Vorherr, Thomas; Carafoli, Ernesto
Citation: Elshorst, Bettina; Hennig, Mirko; Foersterling, Holger; Diener, Alexander; Maurer, Marcus; Schulte, Petra; Schwalbe, Harald; Griesinger, Christian; Krebs, Joachim; Schmid, Holger; Vorherr, Thomas; Carafoli, Ernesto. "NMR Solution Structure of a Complex of Calmodulin with a Binding Peptide of the Ca2+-Pump" Biochemistry 38, 12320-12332 (1999).
Assembly members:
Calmodulin, polymer, 148 residues, Formula weight is not available
C20W peptide, polymer, 20 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.
Natural source: Common Name: African clawed frog Taxonomy ID: 8355 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Xenopus laevis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Calmodulin: ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEE
FVQMMTAK
C20W peptide: LRRGQILWFRGLNRIQTQIK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 556 |
| 15N chemical shifts | 143 |
| 1H chemical shifts | 987 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cam | 1 |
| 2 | C20W | 2 |
| 3 | Ca | 3 |
Entities:
Entity 1, cam 148 residues - Formula weight is not available
| 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 | ASN | ||||
| 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, C20W 20 residues - Formula weight is not available
| 1 | LEU | ARG | ARG | GLY | GLN | ILE | LEU | TRP | PHE | ARG | |
| 2 | GLY | LEU | ASN | ARG | ILE | GLN | THR | GLN | ILE | LYS |
Entity 3, Ca - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_one: Calmodulin 1.7 mM; C20W peptide 1.7 mM; KCl 100 mM; CaCl2 5 mM
sample_conditions_one: pH: 6.5; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N-HSQC | sample_one | not available | sample_conditions_one |
| 13C-HSQC | sample_one | not available | sample_conditions_one |
| HNCO | sample_one | not available | sample_conditions_one |
| HNCA | sample_one | not available | sample_conditions_one |
| CBCACONH | sample_one | not available | sample_conditions_one |
| CBCANH | sample_one | not available | sample_conditions_one |
| HBHA(CO)NH | sample_one | not available | sample_conditions_one |
| HCCH-TOCSY | sample_one | not available | sample_conditions_one |
| (H)CC(CO)NH | sample_one | not available | sample_conditions_one |
| H(CCCO)NH | sample_one | not available | sample_conditions_one |
| NOESY-13C-HSQC | sample_one | not available | sample_conditions_one |
| NOESY-15N-HSQC | sample_one | not available | sample_conditions_one |
| (HB)CB(CCarom)H | sample_one | not available | sample_conditions_one |
| HMBC-HSQC | sample_one | not available | sample_conditions_one |
| LRCC | sample_one | not available | sample_conditions_one |
| 12C,14N-NOESY | sample_one | not available | sample_conditions_one |
Software:
FELIX v970, Molecular Simulations Inc. - resonance assignment
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 15184 15185 15186 15187 15188 15191 15470 15624 15650 15852 1634 16418 16465 1648 16764 17264 17360 17771 17807 18027 18028 18556 19036 19238 19586 19604 25253 25257 26503 26626 26627 4056 4270 4310 |
| PDB | |
| DBJ | BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 |
| EMBL | CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 |
| GB | AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 |
| PIR | JC1305 MCON |
| PRF | 0409298A 0608335A |
| REF | NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 |
| SP | O02367 O16305 O96081 P02594 P05932 |
| TPG | DAA13808 DAA18029 DAA19590 DAA24777 DAA24988 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts