BMRB Entry 19238
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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/BMR19238
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Title: Backbone 1H, 13C, 15N resonance assignments of calcium-bound calmodulin in complex with PSD95 N-terminal peptide PubMed: 24705785
Deposition date: 2013-05-13 Original release date: 2014-12-22
Authors: Zhang, Yonghong; Ames, James
Citation: Zhang, Yonghong; Matt, Lucas; Patriarchi, Tommaso; Malik, Zulfiqar; Chowdhury, Dhrubajyoti; Park, Deborah; Renieri, Alessandra; Ames, James; Hell, Johannes. "Capping of the N-terminus of PSD-95 by calmodulin triggers its postsynaptic release" Embo J. 33, 1341-1353 (2014).
Assembly members:
Calmodulin_prototypical_calcium_sensor, polymer, 148 residues, Formula weight is not available
PSD95_N-terminal_peptide, polymer, 71 residues, Formula weight is not available
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_prototypical_calcium_sensor: ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEE
FVQMMTAK
PSD95_N-terminal_peptide: MDCLCIVTTKKYRYQDEDTP
PLEHSPAHLPNQANSPPVIV
NTDTLEAPGYELQVNGTEGE
MEYEEITLERG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 440 |
| 15N chemical shifts | 143 |
| 1H chemical shifts | 581 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Calmodulin_prototypical_calcium_sensor | 1 |
| 2 | PSD95_N-terminal_peptide | 2 |
Entities:
Entity 1, Calmodulin_prototypical_calcium_sensor 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, PSD95_N-terminal_peptide 71 residues - Formula weight is not available
| 1 | MET | ASP | CYS | LEU | CYS | ILE | VAL | THR | THR | LYS | ||||
| 2 | LYS | TYR | ARG | TYR | GLN | ASP | GLU | ASP | THR | PRO | ||||
| 3 | PRO | LEU | GLU | HIS | SER | PRO | ALA | HIS | LEU | PRO | ||||
| 4 | ASN | GLN | ALA | ASN | SER | PRO | PRO | VAL | ILE | VAL | ||||
| 5 | ASN | THR | ASP | THR | LEU | GLU | ALA | PRO | GLY | TYR | ||||
| 6 | GLU | LEU | GLN | VAL | ASN | GLY | THR | GLU | GLY | GLU | ||||
| 7 | MET | GLU | TYR | GLU | GLU | ILE | THR | LEU | GLU | ARG | ||||
| 8 | GLY |
Samples:
sample_1: Calmodulin, PSD95NT, DTT, Tris, CaCl2, [U-99% 13C; U-99% 15N], 400 ± 0.2 uM; PSD95_N-terminal_peptide 600 uM; Tris-d11 20 mM; NaCl 50 mM; CaCl2 5 mM; DTT-d 5 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard - peak picking, processing
NMR spectrometers:
- Bruker Avance 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 19586 19604 25253 25257 26503 26626 26627 4056 4270 4284 4310 |
| PDB | |
| DBJ | BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 BAA09297 BAG10877 BAH11607 |
| EMBL | CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 CAA47103 |
| GB | AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 AAA41971 AAQ56705 |
| PIR | JC1305 MCON |
| PRF | 0409298A 0608335A |
| REF | NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 NP_031890 NP_062567 XP_004594887 XP_004638436 XP_004669318 |
| SP | O02367 O16305 O96081 P02594 P05932 P31016 P78352 Q62108 |
| 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