BMRB Entry 50559
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50559
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Title: Titration of C8-AcpP with the E. coli thioesterase 1 TesA PubMed: 33727677
Deposition date: 2020-11-11 Original release date: 2021-05-18
Authors: Bartholow, Thomas
Citation: Bartholow, Thomas; Sztain, Terra; Patel, Ashay; Lee, D John; Young, Megan; Abagyan, Ruben; Burkart, Michael. "Elucidation of transient protein-protein interactions within carrier protein-dependent biosynthesis" Commun. Biol. 4, 340-340 (2021).
Assembly members:
entity_1, polymer, 99 residues, Formula weight is not available
entity_3, polymer, 208 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: Pet28b
Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH
MMSTIEERVKKIIGEQLGVK
QEEVTNNASFVEDLGADSLD
TVELVMALEEEFDTEIPDEE
AEKITTVQAAIDYINGHQA
entity_3: MMNFNNVFRWHLPFLFLVLL
TFRAAAADTLLILGDSLSAG
YRMSASAAWPALLNDKWQSK
TSVVNASISGDTSQQGLARL
PALLKQHQPRWVLVELGGND
GLRGFQPQQTEQTLRQILQD
VKAANAEPLLMQIRLPANYG
RRYNEAFSAIYPKLAKEFDV
PLLPFFMEEVYLKPQWMQDD
GIHPNRDAQPFIADWMAKQL
QPLVNHDS
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 143 |
| 1H chemical shifts | 143 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AcpP | 1 |
| 2 | TesA | 2 |
Entities:
Entity 1, AcpP 99 residues - Formula weight is not available
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | MET | SER | THR | ILE | GLU | GLU | ARG | VAL | LYS | ||||
| 4 | LYS | ILE | ILE | GLY | GLU | GLN | LEU | GLY | VAL | LYS | ||||
| 5 | GLN | GLU | GLU | VAL | THR | ASN | ASN | ALA | SER | PHE | ||||
| 6 | VAL | GLU | ASP | LEU | GLY | ALA | ASP | SER | LEU | ASP | ||||
| 7 | THR | VAL | GLU | LEU | VAL | MET | ALA | LEU | GLU | GLU | ||||
| 8 | GLU | PHE | ASP | THR | GLU | ILE | PRO | ASP | GLU | GLU | ||||
| 9 | ALA | GLU | LYS | ILE | THR | THR | VAL | GLN | ALA | ALA | ||||
| 10 | ILE | ASP | TYR | ILE | ASN | GLY | HIS | GLN | ALA |
Entity 2, TesA 208 residues - Formula weight is not available
| 1 | MET | MET | ASN | PHE | ASN | ASN | VAL | PHE | ARG | TRP | ||||
| 2 | HIS | LEU | PRO | PHE | LEU | PHE | LEU | VAL | LEU | LEU | ||||
| 3 | THR | PHE | ARG | ALA | ALA | ALA | ALA | ASP | THR | LEU | ||||
| 4 | LEU | ILE | LEU | GLY | ASP | SER | LEU | SER | ALA | GLY | ||||
| 5 | TYR | ARG | MET | SER | ALA | SER | ALA | ALA | TRP | PRO | ||||
| 6 | ALA | LEU | LEU | ASN | ASP | LYS | TRP | GLN | SER | LYS | ||||
| 7 | THR | SER | VAL | VAL | ASN | ALA | SER | ILE | SER | GLY | ||||
| 8 | ASP | THR | SER | GLN | GLN | GLY | LEU | ALA | ARG | LEU | ||||
| 9 | PRO | ALA | LEU | LEU | LYS | GLN | HIS | GLN | PRO | ARG | ||||
| 10 | TRP | VAL | LEU | VAL | GLU | LEU | GLY | GLY | ASN | ASP | ||||
| 11 | GLY | LEU | ARG | GLY | PHE | GLN | PRO | GLN | GLN | THR | ||||
| 12 | GLU | GLN | THR | LEU | ARG | GLN | ILE | LEU | GLN | ASP | ||||
| 13 | VAL | LYS | ALA | ALA | ASN | ALA | GLU | PRO | LEU | LEU | ||||
| 14 | MET | GLN | ILE | ARG | LEU | PRO | ALA | ASN | TYR | GLY | ||||
| 15 | ARG | ARG | TYR | ASN | GLU | ALA | PHE | SER | ALA | ILE | ||||
| 16 | TYR | PRO | LYS | LEU | ALA | LYS | GLU | PHE | ASP | VAL | ||||
| 17 | PRO | LEU | LEU | PRO | PHE | PHE | MET | GLU | GLU | VAL | ||||
| 18 | TYR | LEU | LYS | PRO | GLN | TRP | MET | GLN | ASP | ASP | ||||
| 19 | GLY | ILE | HIS | PRO | ASN | ARG | ASP | ALA | GLN | PRO | ||||
| 20 | PHE | ILE | ALA | ASP | TRP | MET | ALA | LYS | GLN | LEU | ||||
| 21 | GLN | PRO | LEU | VAL | ASN | HIS | ASP | SER |
Samples:
sample_1: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.0699 uM; E. coli Thioesterase 1 0.104 uM; sodium azide 0.1%; TCEP 0.5 mM; potassium phosphate 10 mM
sample_2: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.0699 uM; sodium azide 0.1%; TCEP 0.5 mM; potassium phosphate 10 mM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC AcpP TesA titration saturated | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC AcpP TesA titration zero point | sample_2 | isotropic | sample_conditions_1 |
| 2D Peak list of assignments | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
NMR Pipe - processing
SPARKY - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts