BMRB Entry 50270
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50270
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Title: Cre Recombinase Catalytic Domain PubMed: 32968014
Deposition date: 2020-05-12 Original release date: 2021-08-11
Authors: Unnikrishnan, Aparna; Foster, Mark
Citation: Unnikrishnan, Aparna; Amero, Carlos; Yadav, Deepak Kumar; Stachowski, Kye; Potter, Devante; Foster, Mark. "DNA binding induces a cis-to- trans switch in Cre recombinase to enable intasome assembly" Proc. Natl. Acad. Sci. U. S. A. 117, 24849-24858 (2020).
Assembly members:
entity_1, polymer, 217 residues, 23814.1 Da.
Natural source: Common Name: Escherichia virus P1 Taxonomy ID: 10678 Superkingdom: Viruses Kingdom: not available Genus/species: Punavirus Bacteriophage P1
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-21a
Entity Sequences (FASTA):
entity_1: AGERAKQALAFERTDFDQVR
SLMENSDRCQDIRNLAFLGI
AYNTLLRIAEIARIRVKDIS
RTDGGRMLIHIGRTKTLVST
AGVEKALSLGVTKLVERWIS
VSGVADDPNNYLFCRVRKNG
VAAPSATSQLSTRALEGIFE
ATHRLIYGAKDDSGQRYLAW
SGHSARVGAARDMARAGVSI
PEIMQAGGWTNVNIVMNYIR
NLDSETGAMVRLLEDGD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 595 |
| 15N chemical shifts | 196 |
| 1H chemical shifts | 362 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cre Recombinase Catalytic DomainCre Recombinase Catalytic Domain | 1 |
Entities:
Entity 1, Cre Recombinase Catalytic DomainCre Recombinase Catalytic Domain 217 residues - 23814.1 Da.
Residue numbers 127 to 343 in Cre Recombinase
| 1 | ALA | GLY | GLU | ARG | ALA | LYS | GLN | ALA | LEU | ALA | ||||
| 2 | PHE | GLU | ARG | THR | ASP | PHE | ASP | GLN | VAL | ARG | ||||
| 3 | SER | LEU | MET | GLU | ASN | SER | ASP | ARG | CYS | GLN | ||||
| 4 | ASP | ILE | ARG | ASN | LEU | ALA | PHE | LEU | GLY | ILE | ||||
| 5 | ALA | TYR | ASN | THR | LEU | LEU | ARG | ILE | ALA | GLU | ||||
| 6 | ILE | ALA | ARG | ILE | ARG | VAL | LYS | ASP | ILE | SER | ||||
| 7 | ARG | THR | ASP | GLY | GLY | ARG | MET | LEU | ILE | HIS | ||||
| 8 | ILE | GLY | ARG | THR | LYS | THR | LEU | VAL | SER | THR | ||||
| 9 | ALA | GLY | VAL | GLU | LYS | ALA | LEU | SER | LEU | GLY | ||||
| 10 | VAL | THR | LYS | LEU | VAL | GLU | ARG | TRP | ILE | SER | ||||
| 11 | VAL | SER | GLY | VAL | ALA | ASP | ASP | PRO | ASN | ASN | ||||
| 12 | TYR | LEU | PHE | CYS | ARG | VAL | ARG | LYS | ASN | GLY | ||||
| 13 | VAL | ALA | ALA | PRO | SER | ALA | THR | SER | GLN | LEU | ||||
| 14 | SER | THR | ARG | ALA | LEU | GLU | GLY | ILE | PHE | GLU | ||||
| 15 | ALA | THR | HIS | ARG | LEU | ILE | TYR | GLY | ALA | LYS | ||||
| 16 | ASP | ASP | SER | GLY | GLN | ARG | TYR | LEU | ALA | TRP | ||||
| 17 | SER | GLY | HIS | SER | ALA | ARG | VAL | GLY | ALA | ALA | ||||
| 18 | ARG | ASP | MET | ALA | ARG | ALA | GLY | VAL | SER | ILE | ||||
| 19 | PRO | GLU | ILE | MET | GLN | ALA | GLY | GLY | TRP | THR | ||||
| 20 | ASN | VAL | ASN | ILE | VAL | MET | ASN | TYR | ILE | ARG | ||||
| 21 | ASN | LEU | ASP | SER | GLU | THR | GLY | ALA | MET | VAL | ||||
| 22 | ARG | LEU | LEU | GLU | ASP | GLY | ASP |
Samples:
sample_1: Cre Recombinase Catalytic Domain, [U-100% 13C; U-100% 15N], 750 uM; TRIS, [U-100% 2H], 10 mM; sodium chloride 100 mM; DSS 0.66 mM; sodium azide 0.02%; H2O 95%; D2O, [U-99% 2H], 5%
sample_conditions_1: pH: 7; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D Tr HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D Tr HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D Tr HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRViewJ - chemical shift assignment, data analysis, processing
NMRFx Processor - chemical shift assignment, data analysis, processing
CARA - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts