BMRB Entry 51197
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51197
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Title: 1H, 15N Backbone Assignments of Rec3 from GeoCas9 PubMed: 38746279
Deposition date: 2021-11-29 Original release date: 2024-07-22
Authors: Belato, Helen
Citation: Belato, Helen; Knight, Alexa; D'Ordine, Alexandra; Fan, Zhiqiang; Luo, Jinping; Jogl, Gerwald; Lisi, George. "Atomistic Tuning of the GeoCas9 Recognition Lobe Modulates Allosteric Motions and Guide RNA Interactions" bioRxiv ., .-. (2024).
Assembly members:
entity_1, polymer, 212 residues, Formula weight is not available
Natural source: Common Name: Geobacillus stearothermophilus Taxonomy ID: 1422 Superkingdom: Bacteria Kingdom: not available Genus/species: Geobacillus stearothermophilus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
entity_1: KEKRAPKATYTFQSFIAWEH
INKLRLISPSGARGLTDEER
RLLYEQAFQKNKITYHDIRT
LLHLPDDTYFKGIVYDRGES
RKQNENIRFLELDAYHQIRK
AVDKVYGKGKSSSFLPIDFD
TFGYALTLFKDDADIHSYLR
NEYEQNGKRMPNLANKVYDN
ELIEELLNLSFTKFGHLSLK
ALRSILPYMEQGEVYSSACE
RAGYTFTGPKKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 323 |
| 15N chemical shifts | 122 |
| 1H chemical shifts | 122 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rec3 | 1 |
Entities:
Entity 1, Rec3 212 residues - Formula weight is not available
| 1 | LYS | GLU | LYS | ARG | ALA | PRO | LYS | ALA | THR | TYR | ||||
| 2 | THR | PHE | GLN | SER | PHE | ILE | ALA | TRP | GLU | HIS | ||||
| 3 | ILE | ASN | LYS | LEU | ARG | LEU | ILE | SER | PRO | SER | ||||
| 4 | GLY | ALA | ARG | GLY | LEU | THR | ASP | GLU | GLU | ARG | ||||
| 5 | ARG | LEU | LEU | TYR | GLU | GLN | ALA | PHE | GLN | LYS | ||||
| 6 | ASN | LYS | ILE | THR | TYR | HIS | ASP | ILE | ARG | THR | ||||
| 7 | LEU | LEU | HIS | LEU | PRO | ASP | ASP | THR | TYR | PHE | ||||
| 8 | LYS | GLY | ILE | VAL | TYR | ASP | ARG | GLY | GLU | SER | ||||
| 9 | ARG | LYS | GLN | ASN | GLU | ASN | ILE | ARG | PHE | LEU | ||||
| 10 | GLU | LEU | ASP | ALA | TYR | HIS | GLN | ILE | ARG | LYS | ||||
| 11 | ALA | VAL | ASP | LYS | VAL | TYR | GLY | LYS | GLY | LYS | ||||
| 12 | SER | SER | SER | PHE | LEU | PRO | ILE | ASP | PHE | ASP | ||||
| 13 | THR | PHE | GLY | TYR | ALA | LEU | THR | LEU | PHE | LYS | ||||
| 14 | ASP | ASP | ALA | ASP | ILE | HIS | SER | TYR | LEU | ARG | ||||
| 15 | ASN | GLU | TYR | GLU | GLN | ASN | GLY | LYS | ARG | MET | ||||
| 16 | PRO | ASN | LEU | ALA | ASN | LYS | VAL | TYR | ASP | ASN | ||||
| 17 | GLU | LEU | ILE | GLU | GLU | LEU | LEU | ASN | LEU | SER | ||||
| 18 | PHE | THR | LYS | PHE | GLY | HIS | LEU | SER | LEU | LYS | ||||
| 19 | ALA | LEU | ARG | SER | ILE | LEU | PRO | TYR | MET | GLU | ||||
| 20 | GLN | GLY | GLU | VAL | TYR | SER | SER | ALA | CYS | GLU | ||||
| 21 | ARG | ALA | GLY | TYR | THR | PHE | THR | GLY | PRO | LYS | ||||
| 22 | LYS | LYS |
Samples:
sample_1: Rec3, [U-100% 13C; U-100% 15N], 500 uM; sodium phosphate 20 mM; potassium chloride 80 mM; DTT 1 mM; EDTA 1 mM
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker AVANCE III 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts