BMRB Entry 30986
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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/BMR30986
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Title: NMR solution structure of the phosphorylated MUS81-binding region from human SLX4 PubMed: 36288699
Deposition date: 2022-02-02 Original release date: 2022-10-13
Authors: Payliss, B.; Reichheld, S.; Lemak, A.; Sharpe, S.; Arrowsmith, C.; Wyatt, H.
Citation: Payliss, Brandon; Tse, Ying Wah; Reichheld, Sean; Lemak, Alexander; Yun, Hwa Young; Houliston, Scott; Patel, Ayushi; Arrowsmith, Cheryl; Sharpe, Simon; Wyatt, Haley. "Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease" Cell Rep. 41, 111537-111537 (2022).
Assembly members:
entity_1, polymer, 86 residues, 9956.198 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: AQMPSAGGAQKPEGLEXPKG
ANRKKNLPPKVPIXPMPQYS
IMEXPVLKKELDRFGVRPLP
KRQMVLKLKEIFQYTHQTLD
SDSEDE
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 357 |
| 15N chemical shifts | 78 |
| 1H chemical shifts | 547 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 86 residues - 9956.198 Da.
| 1 | ALA | GLN | MET | PRO | SER | ALA | GLY | GLY | ALA | GLN | ||||
| 2 | LYS | PRO | GLU | GLY | LEU | GLU | TPO | PRO | LYS | GLY | ||||
| 3 | ALA | ASN | ARG | LYS | LYS | ASN | LEU | PRO | PRO | LYS | ||||
| 4 | VAL | PRO | ILE | TPO | PRO | MET | PRO | GLN | TYR | SER | ||||
| 5 | ILE | MET | GLU | TPO | PRO | VAL | LEU | LYS | LYS | GLU | ||||
| 6 | LEU | ASP | ARG | PHE | GLY | VAL | ARG | PRO | LEU | PRO | ||||
| 7 | LYS | ARG | GLN | MET | VAL | LEU | LYS | LEU | LYS | GLU | ||||
| 8 | ILE | PHE | GLN | TYR | THR | HIS | GLN | THR | LEU | ASP | ||||
| 9 | SER | ASP | SER | GLU | ASP | GLU |
Samples:
sample_1: Phosphorylated MUS81-binding region of human SLX4, [U-100% 13C; U-100% 15N], 500 uM; sodium phosphate 25 mM; sodium chloride 100 mM; EDTA 100 uM; sodium azide 100 uM
sample_conditions_1: ionic strength: 0.125 M; pH: 7.4; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
FMCGUI, Lemak and Arrowsmith - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRFAM-SPARKY, Lee, Tonelli, and Markley - peak picking
CcpNmr Analysis, CCPN - peak picking
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts