Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15470
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Citation: Rodriguez-Castaneda, Fernando; Coudevylle, Nicolas; Becker, Stefan; Brose, Nils; Carlomagno, Teresa; Griesinger, Christian. "(1)H, (13)C and (15)N resonance assignments of the Calmodulin-Munc13-1 peptide complex." Biomol. NMR assignments 4, 45-48 (2009).
PubMed: 20013162
Assembly members:
calmodulin, polymer, 148 residues, 16700 Da.
Munc13-1_(458-492), polymer, 36 residues, 4170 Da.
CA, 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 Vector: pET28a and pGEX-2T
Entity Sequences (FASTA):
calmodulin: ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREANIDGDGQVNYEE
FVQMMTAK
Munc13-1_(458-492): GSRAKANWLRAFNKVRMQLQ
EARGEGEMSKSLWFKG
Data type | Count |
13C chemical shifts | 666 |
15N chemical shifts | 191 |
1H chemical shifts | 1105 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | calmodulin | 1 |
2 | Munc13-1 | 2 |
3 | Calcium I | 3 |
4 | Calcium II | 3 |
5 | Calcium III | 3 |
6 | Calcium IV | 3 |
Entity 1, calmodulin 148 residues - 16700 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 | 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 | ASN | ILE | ||||
14 | ASP | GLY | ASP | GLY | GLN | VAL | ASN | TYR | GLU | GLU | ||||
15 | PHE | VAL | GLN | MET | MET | THR | ALA | LYS |
Entity 2, Munc13-1 36 residues - 4170 Da.
1 | GLY | SER | ARG | ALA | LYS | ALA | ASN | TRP | LEU | ARG | ||||
2 | ALA | PHE | ASN | LYS | VAL | ARG | MET | GLN | LEU | GLN | ||||
3 | GLU | ALA | ARG | GLY | GLU | GLY | GLU | MET | SER | LYS | ||||
4 | SER | LEU | TRP | PHE | LYS | GLY |
Entity 3, Calcium I - Ca - 40.078 Da.
1 | CA |
13C15NCaM_Munc13-1: calmodulin, [U-13C; U-15N], 1.5 ± 0.2 mM; Munc13-1 1.8 ± 0.2 mM; Calcium chloride 10 ± 1 mM; Bis-Tris 20 ± 2 mM; Potassium chloride 150 ± 15 mM
13C15NMunc13-1_CaM: Munc13-1, [U-13C; U-15N], 0.5 ± 0.1 mM; calmodulin 0.6 ± 0.1 mM; Calcium chloride 10 ± 1 mM; Bis-Tris 20 ± 2 mM; potassium chloride 150 ± 15 mM
13C15NCaM_Munc13-1D2O: calmodulin, [U-13C; U-15N], 1.5 ± 0.2 mM; Munc13-1 1.8 ± 0.2 mM; Calcium chloride 10 ± 1 mM; Bis-Tris 20 ± 2 mM; Potassium chloride 150 ± 15 mM
15NCaM_Munc13-1Pf1: calmodulin, [U-15N], 1.5 ± 0.2 mM; Munc13-1 1.8 ± 0.2 mM; Calcium chloride 10 ± 1 mM; Bis-Tris 20 ± 2 mM; Potassium chloride 150 ± 15 mM; Bacteriophage Pf1 4.2 ± 0.4 mg
13C15NMunc13-1_CaMPf1: Munc13-1, [U-13C; U-15N], 0.5 ± 0.1 mM; calmodulin 0.6 ± 0.1 mM; Calcium chloride 10 ± 1 mM; Bis-Tris 20 ± 2 mM; Potassium chloride 150 ± 15 mM; Bacteriophage Pf1 4.2 ± 0.4 mg
single: ionic strength: 0.16 M; pH: 6.8; pressure: 1 atm; temperature: 308 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | 13C15NCaM_Munc13-1 | isotropic | single |
2D 1H-13C HSQC | 13C15NCaM_Munc13-1D2O | isotropic | single |
3D CBCA(CO)NH | 13C15NCaM_Munc13-1 | isotropic | single |
3D HNCACB | 13C15NCaM_Munc13-1 | isotropic | single |
3D HNCO | 13C15NCaM_Munc13-1 | isotropic | single |
3D HN(CA)CO | 13C15NCaM_Munc13-1 | isotropic | single |
3D 1H-15N NOESY | 13C15NCaM_Munc13-1 | isotropic | single |
3D 1H-13C NOESY | 13C15NCaM_Munc13-1D2O | isotropic | single |
3D H(CCO)NH | 13C15NCaM_Munc13-1 | isotropic | single |
3D C(CO)NH | 13C15NCaM_Munc13-1 | isotropic | single |
3D HCCH-TOCSY | 13C15NCaM_Munc13-1D2O | isotropic | single |
2D HBCBCaro | 13C15NCaM_Munc13-1D2O | isotropic | single |
3D HMBCMet | 13C15NCaM_Munc13-1D2O | isotropic | single |
2D 1H-15N HSQC | 13C15NMunc13-1_CaM | isotropic | single |
2D 1H-13C HSQC | 13C15NMunc13-1_CaM | isotropic | single |
3D CBCA(CO)NH | 13C15NMunc13-1_CaM | isotropic | single |
3D C(CO)NH | 13C15NMunc13-1_CaM | isotropic | single |
3D HNCO | 13C15NMunc13-1_CaM | isotropic | single |
3D HNCACB | 13C15NMunc13-1_CaM | isotropic | single |
3D H(CCO)NH | 13C15NMunc13-1_CaM | isotropic | single |
3D HCCH-TOCSY | 13C15NMunc13-1_CaM | isotropic | single |
3D 1H-15N NOESY | 13C15NMunc13-1_CaM | isotropic | single |
3D 1H-13C NOESY | 13C15NMunc13-1_CaM | isotropic | single |
3D HN(CA)CO | 13C15NMunc13-1_CaM | isotropic | single |
2D HBCBCaro | 13C15NMunc13-1_CaM | isotropic | single |
2D 1H-15N HSQC | 15NCaM_Munc13-1Pf1 | anisotropic | single |
2D 1H-15N HSQC | 13C15NMunc13-1_CaMPf1 | anisotropic | single |
xwinnmr v3.1, Bruker Biospin - collection, processing
FELIX v2004, Accelrys Software Inc. - processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY v3.110, Goddard - chemical shift assignment, data analysis, peak picking
BMRB | 4056 4270 4284 5480 5770 6541 15184 15185 15186 15187 15188 15191 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 4284 4310 |
PDB | |
DBJ | BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 BAA82984 BAE27895 BAJ17676 |
EMBL | CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 Q62768 |
GB | AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 AAC52266 AAI72223 AAX09281 EDL28951 ELK19163 |
PIR | JC1305 MCON |
PRF | 0409298A 0608335A |
REF | NP_001008160 NP_001009759 NP_001039714 NP_001040234 NP_001080864 NP_001025044 NP_001073890 NP_074052 XP_002688619 XP_002801170 |
SP | O16305 P02594 P21251 P62144 P62145 Q4KUS2 Q62768 Q9UPW8 |
TPG | DAA13808 DAA18029 DAA19590 DAA24777 DAA24988 DAA28231 |
AlphaFold | P62144 O16305 P21251 P02594 P62145 Q9UPW8 Q62768 Q4KUS2 |
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