BMRB Entry 51061
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51061
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Title: mMLKL PubMed: 35264780
Deposition date: 2021-08-19 Original release date: 2022-03-08
Authors: Sethi, Ashish; Horne, Chris; Gooley, Paul R.; Murphy, James
Citation: Sethi, Ashish; Horne, Christopher; Fitzgibbon, Cheree; Wilde, Karyn; Davies, Katherine; Garnish, Sarah; Jacobsen, Annette; Samson, Andre; Hildebrand, Joanne; Wardak, Ahmad; Czabotar, Peter; Petrie, Emma; Gooley, Paul; Murphy, James. "Membrane permeabilization is mediated by distinct epitopes in mouse and human orthologs of the necroptosis effector, MLKL" Cell Death Diff. 29, 1804-1815 (2022).
Assembly members:
entity_1, polymer, 163 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETNusH Htb
Entity Sequences (FASTA):
entity_1: GAMGSMDKLGQIIKLGQLIY
EQCEKMKYCRKQCQRLGNRV
HGLLQPLQRLQAQGKKNLPD
DITAALGRFDEVLKEANQQI
EKFSKKSHIWKFVSVGNDKI
LFHEVNEKLRDVWEELLLLL
QVYHWNTVSDVSQPASWQQE
DRQDAEEDGNENMKVILMQL
QIS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 244 |
| 15N chemical shifts | 151 |
| 1H chemical shifts | 151 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | mMLKL monomer | 1 |
Entities:
Entity 1, mMLKL monomer 163 residues - Formula weight is not available
| 1 | GLY | ALA | MET | GLY | SER | MET | ASP | LYS | LEU | GLY | ||||
| 2 | GLN | ILE | ILE | LYS | LEU | GLY | GLN | LEU | ILE | TYR | ||||
| 3 | GLU | GLN | CYS | GLU | LYS | MET | LYS | TYR | CYS | ARG | ||||
| 4 | LYS | GLN | CYS | GLN | ARG | LEU | GLY | ASN | ARG | VAL | ||||
| 5 | HIS | GLY | LEU | LEU | GLN | PRO | LEU | GLN | ARG | LEU | ||||
| 6 | GLN | ALA | GLN | GLY | LYS | LYS | ASN | LEU | PRO | ASP | ||||
| 7 | ASP | ILE | THR | ALA | ALA | LEU | GLY | ARG | PHE | ASP | ||||
| 8 | GLU | VAL | LEU | LYS | GLU | ALA | ASN | GLN | GLN | ILE | ||||
| 9 | GLU | LYS | PHE | SER | LYS | LYS | SER | HIS | ILE | TRP | ||||
| 10 | LYS | PHE | VAL | SER | VAL | GLY | ASN | ASP | LYS | ILE | ||||
| 11 | LEU | PHE | HIS | GLU | VAL | ASN | GLU | LYS | LEU | ARG | ||||
| 12 | ASP | VAL | TRP | GLU | GLU | LEU | LEU | LEU | LEU | LEU | ||||
| 13 | GLN | VAL | TYR | HIS | TRP | ASN | THR | VAL | SER | ASP | ||||
| 14 | VAL | SER | GLN | PRO | ALA | SER | TRP | GLN | GLN | GLU | ||||
| 15 | ASP | ARG | GLN | ASP | ALA | GLU | GLU | ASP | GLY | ASN | ||||
| 16 | GLU | ASN | MET | LYS | VAL | ILE | LEU | MET | GLN | LEU | ||||
| 17 | GLN | ILE | SER |
Samples:
sample_1: mMLKL(1-158), [U-13C; U-15N; U-2H], 352 uM; HEPES 20 mM; sodium chloride 100 mM; TCEP 1 mM; D2O 10%
sample_conditions_1: ionic strength: 100 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | 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(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMRPipe - processing
NMRFAM-SPARKY - chemical shift assignment
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