Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15170
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Citation: Zhou, Hongjun; Shatz, Whitney; Purdy, Matthew; Fera, Nick; Dahlquist, Frederick; Reich, Norbert. "Long-range structural and dynamical changes induced by cofactor binding in DNA methyltransferase M.HhaI." Biochemistry 46, 7261-7268 (2007).
PubMed: 17523600
Assembly members:
M.HhaI, polymer, 331 residues, Formula weight is not available
SAH, non-polymer, 384.411 Da.
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: pET28a
Data type | Count |
13C chemical shifts | 483 |
15N chemical shifts | 242 |
1H chemical shifts | 242 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | monomer | 1 |
2 | SAH | 2 |
Entity 1, monomer 331 residues - Formula weight is not available
1 | MET | ILE | GLU | ILE | LYS | ASP | LYS | GLN | LEU | THR | ||||
2 | GLY | LEU | ARG | PHE | ILE | ASP | LEU | PHE | ALA | GLY | ||||
3 | LEU | GLY | GLY | PHE | ARG | LEU | ALA | LEU | GLU | SER | ||||
4 | CYS | GLY | ALA | GLU | CYS | VAL | TYR | SER | ASN | GLU | ||||
5 | TRP | ASP | LYS | TYR | ALA | GLN | GLU | VAL | TYR | GLU | ||||
6 | MET | ASN | PHE | GLY | GLU | LYS | PRO | GLU | GLY | ASP | ||||
7 | ILE | THR | GLN | VAL | ASN | GLU | LYS | THR | ILE | PRO | ||||
8 | ASP | HIS | ASP | ILE | LEU | CYS | ALA | GLY | PHE | PRO | ||||
9 | CYS | GLN | ALA | PHE | SER | ILE | SER | GLY | LYS | GLN | ||||
10 | LYS | GLY | PHE | GLU | ASP | SER | ARG | GLY | THR | LEU | ||||
11 | PHE | PHE | ASP | ILE | ALA | ARG | ILE | VAL | ARG | GLU | ||||
12 | LYS | LYS | PRO | LYS | VAL | VAL | PHE | MET | GLU | ASN | ||||
13 | VAL | LYS | ASN | PHE | ALA | SER | HIS | ASP | ASN | GLY | ||||
14 | ASN | THR | LEU | GLU | VAL | VAL | LYS | ASN | THR | MET | ||||
15 | ASN | GLU | LEU | ASP | TYR | SER | PHE | HIS | ALA | LYS | ||||
16 | VAL | LEU | ASN | ALA | LEU | ASP | TYR | GLY | ILE | PRO | ||||
17 | GLN | LYS | ARG | GLU | ARG | ILE | TYR | MET | ILE | CYS | ||||
18 | PHE | ARG | ASN | ASP | LEU | ASN | ILE | GLN | ASN | PHE | ||||
19 | GLN | PHE | PRO | LYS | PRO | PHE | GLU | LEU | ASN | THR | ||||
20 | PHE | VAL | LYS | ASP | LEU | LEU | LEU | PRO | ASP | SER | ||||
21 | GLU | VAL | GLU | HIS | LEU | VAL | ILE | ASP | ARG | LYS | ||||
22 | ASP | LEU | VAL | MET | THR | ASN | GLN | GLU | ILE | GLU | ||||
23 | GLN | THR | THR | PRO | LYS | THR | VAL | ARG | LEU | GLY | ||||
24 | ILE | VAL | GLY | LYS | GLY | GLY | GLN | GLY | GLU | ARG | ||||
25 | ILE | TYR | SER | THR | ARG | GLY | ILE | ALA | ILE | THR | ||||
26 | LEU | SER | ALA | TYR | GLY | GLY | GLY | ILE | PHE | ALA | ||||
27 | LYS | THR | GLY | GLY | TYR | LEU | VAL | ASN | GLY | LYS | ||||
28 | THR | ARG | LYS | LEU | HIS | PRO | ARG | GLU | CYS | ALA | ||||
29 | ARG | VAL | MET | GLY | TYR | PRO | ASP | SER | TYR | LYS | ||||
30 | VAL | HIS | PRO | SER | THR | SER | GLN | ALA | TYR | LYS | ||||
31 | GLN | PHE | GLY | ASN | SER | VAL | VAL | ILE | ASN | VAL | ||||
32 | LEU | GLN | TYR | ILE | ALA | TYR | ASN | ILE | GLY | SER | ||||
33 | SER | LEU | ASN | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
34 | HIS |
Entity 2, SAH - C14 H20 N6 O5 S - 384.411 Da.
1 | SAH |
sample_1: M.HhaI, [U-13C; U-15N; U-2H], 0.3 0.6 mM; sodium phosphate 50 mM; DTT 5 mM; sodium chloride 100 mM; Arg 50 mM; Glu 50 mM; sodium azide 0.02%; glycerol 0.75%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
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(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HCACO | sample_1 | isotropic | sample_conditions_1 |
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ANSIG, Kraulis - chemical shift assignment
BMRB | 16395 |
PDB | |
GB | AAA24989 EIJ69210 |
REF | WP_005706946 |
SP | P05102 |
AlphaFold | P05102 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks