BMRB Entry 50827
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50827
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Title: Amide NH assignments of the S221C mutant of the armadillo designed protein YM4A tagged with the diamagnetic PCS tag Lu-4R4S-DOTA-M8 and their corresponding PCSs upon tagging with the paramagnetic tag Tm-4R4S_DOTA-M8 PubMed: 34338940
Deposition date: 2021-03-13 Original release date: 2021-08-09
Authors: Cucuzza, Stefano; Guntert, Peter; Pluckthun, Andreas; Zerbe, Oliver
Citation: Cucuzza, Stefano; Guntert, Peter; Pluckthun, Andreas; Zerbe, Oliver. "An automated iterative approach for protein structure refinement using pseudocontact shifts" J. Biomol. NMR 75, 319-334 (2021).
Assembly members:
entity_1, polymer, 241 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: pEM3BT2
Entity Sequences (FASTA):
entity_1: GELPQMVQQLNSPDQQELQS
ALRKLSQIASGGNEQIQAVI
DAGALPALVQLLSSPNEQIL
QEALWALSNIASGGNEQIQA
VIDAGALPALVQLLSSPNEQ
ILQEALWALSNIASGGNEQI
QAVIDAGALPALVQLLSSPN
EQILQEALWALSNIASGGNE
QIQAVIDAGALPALVQLLSS
PNEQILQEALWALSNIASGG
NEQKQAVKEAGALEKLEQLQ
CHENEKIQKEAQEALEKLQS
H
- assigned_chemical_shifts
Data type | Count |
15N chemical shifts | 222 |
1H chemical shifts | 221 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | S221C_YM4A | 1 |
Entities:
Entity 1, S221C_YM4A 241 residues - Formula weight is not available
1 | GLY | GLU | LEU | PRO | GLN | MET | VAL | GLN | GLN | LEU | ||||
2 | ASN | SER | PRO | ASP | GLN | GLN | GLU | LEU | GLN | SER | ||||
3 | ALA | LEU | ARG | LYS | LEU | SER | GLN | ILE | ALA | SER | ||||
4 | GLY | GLY | ASN | GLU | GLN | ILE | GLN | ALA | VAL | ILE | ||||
5 | ASP | ALA | GLY | ALA | LEU | PRO | ALA | LEU | VAL | GLN | ||||
6 | LEU | LEU | SER | SER | PRO | ASN | GLU | GLN | ILE | LEU | ||||
7 | GLN | GLU | ALA | LEU | TRP | ALA | LEU | SER | ASN | ILE | ||||
8 | ALA | SER | GLY | GLY | ASN | GLU | GLN | ILE | GLN | ALA | ||||
9 | VAL | ILE | ASP | ALA | GLY | ALA | LEU | PRO | ALA | LEU | ||||
10 | VAL | GLN | LEU | LEU | SER | SER | PRO | ASN | GLU | GLN | ||||
11 | ILE | LEU | GLN | GLU | ALA | LEU | TRP | ALA | LEU | SER | ||||
12 | ASN | ILE | ALA | SER | GLY | GLY | ASN | GLU | GLN | ILE | ||||
13 | GLN | ALA | VAL | ILE | ASP | ALA | GLY | ALA | LEU | PRO | ||||
14 | ALA | LEU | VAL | GLN | LEU | LEU | SER | SER | PRO | ASN | ||||
15 | GLU | GLN | ILE | LEU | GLN | GLU | ALA | LEU | TRP | ALA | ||||
16 | LEU | SER | ASN | ILE | ALA | SER | GLY | GLY | ASN | GLU | ||||
17 | GLN | ILE | GLN | ALA | VAL | ILE | ASP | ALA | GLY | ALA | ||||
18 | LEU | PRO | ALA | LEU | VAL | GLN | LEU | LEU | SER | SER | ||||
19 | PRO | ASN | GLU | GLN | ILE | LEU | GLN | GLU | ALA | LEU | ||||
20 | TRP | ALA | LEU | SER | ASN | ILE | ALA | SER | GLY | GLY | ||||
21 | ASN | GLU | GLN | LYS | GLN | ALA | VAL | LYS | GLU | ALA | ||||
22 | GLY | ALA | LEU | GLU | LYS | LEU | GLU | GLN | LEU | GLN | ||||
23 | CYS | HIS | GLU | ASN | GLU | LYS | ILE | GLN | LYS | GLU | ||||
24 | ALA | GLN | GLU | ALA | LEU | GLU | LYS | LEU | GLN | SER | ||||
25 | HIS |
Samples:
sample_1: S221C_YM4A, [U-99% 15N], 150 uM; Na2HPO4 20 mM; trimethylsilylpropanoate 2 mM
sample_2: S221C_YMA, [U-99% 15N], 150 uM; Na2HPO4 20 mM; trimethylsilylpropanoate 2 mM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 293 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.0.4 - collection, processing
CARA - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts