BMRB Entry 27048
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27048
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Title: DERA K58EY96W monomer mutant PubMed: 28560616
Deposition date: 2017-03-17 Original release date: 2017-06-30
Authors: Schulte, Marianne; Panwalkar, Vineet
Citation: Schulte, Marianne; Stoldt, Matthias; Neudecker, Philipp; Pietruszka, Joerg; Willbold, Dieter; Panwalkar, Vineet. "1H, 13C, and 15N backbone and sidechain resonance assignments of a monomeric variant of E. coli deoxyribose-5-phosphate aldolase" Biomol. NMR Assignments 11, 197-201 (2017).
Assembly members:
Molecule_1, polymer, 259 residues, 27908.8451 Da.
Natural source: Common Name: enterobacteria Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Molecule_1: MTDLKASSLRALKLMDLTTL
NDDDTDEKVIALCHQAKTPV
GNTAAICIYPRFIPIARETL
KEQGTPEIRIATVTNFPHGN
DDIDIALAETRAAIAWGADE
VDVVFPYRALMAGNEQVGFD
LVKACKEACAAANVLLKVII
ETGELKDEALIRKASEISIK
AGADFIKTSTGKVAVNATPE
SARIMMEVIRDMGVEKTVGF
KPAGGVRTAEDAQKYLAIAD
ELFGADWADARHYRFGASSL
LASLLKALGHGDGKSASSY
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 1077 |
15N chemical shifts | 259 |
1H chemical shifts | 1649 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Molecule 1 | 1 |
Entities:
Entity 1, Molecule 1 259 residues - 27908.8451 Da.
1 | MET | THR | ASP | LEU | LYS | ALA | SER | SER | LEU | ARG | ||||
2 | ALA | LEU | LYS | LEU | MET | ASP | LEU | THR | THR | LEU | ||||
3 | ASN | ASP | ASP | ASP | THR | ASP | GLU | LYS | VAL | ILE | ||||
4 | ALA | LEU | CYS | HIS | GLN | ALA | LYS | THR | PRO | VAL | ||||
5 | GLY | ASN | THR | ALA | ALA | ILE | CYS | ILE | TYR | PRO | ||||
6 | ARG | PHE | ILE | PRO | ILE | ALA | ARG | GLU | THR | LEU | ||||
7 | LYS | GLU | GLN | GLY | THR | PRO | GLU | ILE | ARG | ILE | ||||
8 | ALA | THR | VAL | THR | ASN | PHE | PRO | HIS | GLY | ASN | ||||
9 | ASP | ASP | ILE | ASP | ILE | ALA | LEU | ALA | GLU | THR | ||||
10 | ARG | ALA | ALA | ILE | ALA | TRP | GLY | ALA | ASP | GLU | ||||
11 | VAL | ASP | VAL | VAL | PHE | PRO | TYR | ARG | ALA | LEU | ||||
12 | MET | ALA | GLY | ASN | GLU | GLN | VAL | GLY | PHE | ASP | ||||
13 | LEU | VAL | LYS | ALA | CYS | LYS | GLU | ALA | CYS | ALA | ||||
14 | ALA | ALA | ASN | VAL | LEU | LEU | LYS | VAL | ILE | ILE | ||||
15 | GLU | THR | GLY | GLU | LEU | LYS | ASP | GLU | ALA | LEU | ||||
16 | ILE | ARG | LYS | ALA | SER | GLU | ILE | SER | ILE | LYS | ||||
17 | ALA | GLY | ALA | ASP | PHE | ILE | LYS | THR | SER | THR | ||||
18 | GLY | LYS | VAL | ALA | VAL | ASN | ALA | THR | PRO | GLU | ||||
19 | SER | ALA | ARG | ILE | MET | MET | GLU | VAL | ILE | ARG | ||||
20 | ASP | MET | GLY | VAL | GLU | LYS | THR | VAL | GLY | PHE | ||||
21 | LYS | PRO | ALA | GLY | GLY | VAL | ARG | THR | ALA | GLU | ||||
22 | ASP | ALA | GLN | LYS | TYR | LEU | ALA | ILE | ALA | ASP | ||||
23 | GLU | LEU | PHE | GLY | ALA | ASP | TRP | ALA | ASP | ALA | ||||
24 | ARG | HIS | TYR | ARG | PHE | GLY | ALA | SER | SER | LEU | ||||
25 | LEU | ALA | SER | LEU | LEU | LYS | ALA | LEU | GLY | HIS | ||||
26 | GLY | ASP | GLY | LYS | SER | ALA | SER | SER | TYR |
Samples:
DERAmonomer: Molecule 1, [U-13C; U-15N], 0.8 mM; HEPES 50.0 mM; TSP, [U-99% 2H], 1.0 mM; H2O 90%; D2O 10%
DERAmonomer_1: pH: 6.800; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC/HMQC | DERAmonomer | isotropic | DERAmonomer_1 |
2D 1H-13C HSQC/HMQC | DERAmonomer | isotropic | DERAmonomer_1 |
3D HNCO | DERAmonomer | isotropic | DERAmonomer_1 |
2D 1H-13C HSQC/HMQC | DERAmonomer | isotropic | DERAmonomer_1 |
Software:
CcpNmr_Analysis v2.4, CCPN - Chemical shift assignment
NMR spectrometers:
- Varian VNMRS 800 MHz
- Bruker Avance 700 MHz
Related Database Links:
PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts