BMRB Entry 30807
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30807
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: The structure of anti-CRISPR AcrIE2 PubMed: 33338493
Deposition date: 2020-10-25 Original release date: 2021-05-21
Authors: Pawluk, A.; Davidson, A.; Maxwell, K.
Citation: Mejdani, M.; Pawluk, A.; Maxwell, K.; Davidson, A.. "Anti-CRISPR AcrIE2 Binds the Type I-E CRISPR-Cas Complex But Does Not Block DNA Binding" J. Mol. Biol. 433, 166759-166759 (2021).
Assembly members:
entity_1, polymer, 91 residues, 10319.222 Da.
Natural source: Common Name: Pseudomonas phage JBD16C Taxonomy ID: 1777051 Superkingdom: Viruses Kingdom: not available Genus/species: Casadabanvirus Pseudomonas phage JBD16C
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21 Vector: pET15b
Entity Sequences (FASTA):
entity_1: MNTYLIDPRKNNDNSGERFT
VDAVDITAAAKSAAQQILGE
EFEGLVYRETGESNGSGMFQ
AYHHLHGTNRTETTVGYPFH
VMELEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 309 |
| 15N chemical shifts | 84 |
| 1H chemical shifts | 504 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 91 residues - 10319.222 Da.
| 1 | MET | ASN | THR | TYR | LEU | ILE | ASP | PRO | ARG | LYS | ||||
| 2 | ASN | ASN | ASP | ASN | SER | GLY | GLU | ARG | PHE | THR | ||||
| 3 | VAL | ASP | ALA | VAL | ASP | ILE | THR | ALA | ALA | ALA | ||||
| 4 | LYS | SER | ALA | ALA | GLN | GLN | ILE | LEU | GLY | GLU | ||||
| 5 | GLU | PHE | GLU | GLY | LEU | VAL | TYR | ARG | GLU | THR | ||||
| 6 | GLY | GLU | SER | ASN | GLY | SER | GLY | MET | PHE | GLN | ||||
| 7 | ALA | TYR | HIS | HIS | LEU | HIS | GLY | THR | ASN | ARG | ||||
| 8 | THR | GLU | THR | THR | VAL | GLY | TYR | PRO | PHE | HIS | ||||
| 9 | VAL | MET | GLU | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 10 | HIS |
Samples:
sample_1: anti-CRISPR, [U-100% 13C; U-100% 15N], 1.0 mM
sample_conditions_1: ionic strength: 200 mM; pH: 6.8; pressure: 1 .; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Schmidt - refinement
Sparky v2.1, Goddard - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Sparky, Goddard - peak picking
PINE-SPARKY, Goddard - peak picking
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts