BMRB Entry 27612
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27612
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Title: NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro domain from Mayaro virus (MAYV) in complex with ADP-ribose PubMed: 30998933
Deposition date: 2018-09-14 Original release date: 2019-05-24
Authors: Tsika, Aikaterini; Melekis, Efstathios; Coutard, Bruno; Bentrop, Detlef; Spyroulias, Georgios
Citation: Tsika, Aikaterini; Melekis, Efstathios; Tsatsouli, Sofia-Antigoni; Papageorgiou, Nicolas; Mate, Maria; Canard, Bruno; Coutard, Bruno; Bentrop, Detlef; Spyroulias, Georgios. "Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain." J. Mol. Biol. 431, 2283-2297 (2019).
Assembly members:
MAYV_macro_domain, polymer, 166 residues, 18117.46 Da.
entity_APR, non-polymer, 559.316 Da.
Natural source: Common Name: Mayaro Virus Taxonomy ID: 59301 Superkingdom: Viruses Kingdom: not available Genus/species: Mayaro Virus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MAYV_macro_domain: MAPAYTVKRADIATAIEDAV
VNAANHRGQVGDGVCRAVAR
KWPQAFRNAATPVGTAKTVK
CDETYIIHAVGPNFNNTSEA
EGDRDLAAAYRAVAAEINRL
SISSVAIPLLSTGIFSAGKD
RVHQSLSHLLAAMDTTEARV
TIYCRDKTWEQKIKTVLQNR
HHHHHH
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 456 |
15N chemical shifts | 140 |
1H chemical shifts | 942 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | 1 | 1 |
2 | 2 | 2 |
Entities:
Entity 1, 1 166 residues - 18117.46 Da.
Residue 1 represents a methionine derived from the start codon in the DNA sequence. Residues 161-166 represent a non-native affinity tag.
1 | MET | ALA | PRO | ALA | TYR | THR | VAL | LYS | ARG | ALA | ||||
2 | ASP | ILE | ALA | THR | ALA | ILE | GLU | ASP | ALA | VAL | ||||
3 | VAL | ASN | ALA | ALA | ASN | HIS | ARG | GLY | GLN | VAL | ||||
4 | GLY | ASP | GLY | VAL | CYS | ARG | ALA | VAL | ALA | ARG | ||||
5 | LYS | TRP | PRO | GLN | ALA | PHE | ARG | ASN | ALA | ALA | ||||
6 | THR | PRO | VAL | GLY | THR | ALA | LYS | THR | VAL | LYS | ||||
7 | CYS | ASP | GLU | THR | TYR | ILE | ILE | HIS | ALA | VAL | ||||
8 | GLY | PRO | ASN | PHE | ASN | ASN | THR | SER | GLU | ALA | ||||
9 | GLU | GLY | ASP | ARG | ASP | LEU | ALA | ALA | ALA | TYR | ||||
10 | ARG | ALA | VAL | ALA | ALA | GLU | ILE | ASN | ARG | LEU | ||||
11 | SER | ILE | SER | SER | VAL | ALA | ILE | PRO | LEU | LEU | ||||
12 | SER | THR | GLY | ILE | PHE | SER | ALA | GLY | LYS | ASP | ||||
13 | ARG | VAL | HIS | GLN | SER | LEU | SER | HIS | LEU | LEU | ||||
14 | ALA | ALA | MET | ASP | THR | THR | GLU | ALA | ARG | VAL | ||||
15 | THR | ILE | TYR | CYS | ARG | ASP | LYS | THR | TRP | GLU | ||||
16 | GLN | LYS | ILE | LYS | THR | VAL | LEU | GLN | ASN | ARG | ||||
17 | HIS | HIS | HIS | HIS | HIS | HIS |
Entity 2, 2 - C15 H23 N5 O14 P2 - 559.316 Da.
1 | APR |
Samples:
sample_1: MAYV MD, [U-99% 15N], 0.4 mM; ADP-ribose 1.6 mM; HEPES 10 mM; NaCl 20 mM
sample_2: MAYV MD, [U-99% 13C; U-99% 15N], 0.6 mM; ADP-ribose 1.2 mM; HEPES 10 mM; NaCl 20 mM
sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D HNHA | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_2 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker Avance HD- III HD 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts