BMRB Entry 50757
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50757
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Title: Titration of a C10 acyl mimetic loaded E. coli ACP with the E. coli Octanoyltransferase, LipB PubMed: 34704050
Deposition date: 2021-02-09 Original release date: 2021-11-14
Authors: Bartholow, Thomas
Citation: Bartholow, Thomas; Sztain, Terra; Young, Megan; Davis, Tony; Abagyan, Ruben; Burkart, Michael. "Protein-protein interaction based substrate control in the E. coli octanoic acid transferase, LipB" RSC Chem. Biol. 2, 1466-1473 (2021).
Assembly members:
entity_1, polymer, 74 residues, Formula weight is not available
entity_2, polymer, 213 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: TIEERVKKIIGEQLGVKQEE
VTNNASFVEDLGADSLDTVE
LVMALEEEFDTEIPDEEAEK
ITTVQAAIDYINGH
entity_2: MYQDKILVRQLGLQPYEPIS
QAMHEFTDTRDDSTLDEIWL
VEHYPVFTQGQAGKAEHILM
PGDIPVIQSDRGGQVTYHGP
GQQVMYVLLNLKRRKLGVRE
LVTLLEQTVVNTLAELGIEA
HPRADAPGVYVGEKKICSLG
LRIRRGCSFHGLALNVNMDL
SPFLRINPCGYAGMEMAKIS
QWKPEATTNNIAPRLLENIL
ALLNNPDFEYITA
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 144 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AcpP | 1 |
| 2 | LipB | 2 |
Entities:
Entity 1, AcpP 74 residues - Formula weight is not available
| 1 | THR | ILE | GLU | GLU | ARG | VAL | LYS | LYS | ILE | ILE | ||||
| 2 | GLY | GLU | GLN | LEU | GLY | VAL | LYS | GLN | GLU | GLU | ||||
| 3 | VAL | THR | ASN | ASN | ALA | SER | PHE | VAL | GLU | ASP | ||||
| 4 | LEU | GLY | ALA | ASP | SER | LEU | ASP | THR | VAL | GLU | ||||
| 5 | LEU | VAL | MET | ALA | LEU | GLU | GLU | GLU | PHE | ASP | ||||
| 6 | THR | GLU | ILE | PRO | ASP | GLU | GLU | ALA | GLU | LYS | ||||
| 7 | ILE | THR | THR | VAL | GLN | ALA | ALA | ILE | ASP | TYR | ||||
| 8 | ILE | ASN | GLY | HIS |
Entity 2, LipB 213 residues - Formula weight is not available
| 1 | MET | TYR | GLN | ASP | LYS | ILE | LEU | VAL | ARG | GLN | ||||
| 2 | LEU | GLY | LEU | GLN | PRO | TYR | GLU | PRO | ILE | SER | ||||
| 3 | GLN | ALA | MET | HIS | GLU | PHE | THR | ASP | THR | ARG | ||||
| 4 | ASP | ASP | SER | THR | LEU | ASP | GLU | ILE | TRP | LEU | ||||
| 5 | VAL | GLU | HIS | TYR | PRO | VAL | PHE | THR | GLN | GLY | ||||
| 6 | GLN | ALA | GLY | LYS | ALA | GLU | HIS | ILE | LEU | MET | ||||
| 7 | PRO | GLY | ASP | ILE | PRO | VAL | ILE | GLN | SER | ASP | ||||
| 8 | ARG | GLY | GLY | GLN | VAL | THR | TYR | HIS | GLY | PRO | ||||
| 9 | GLY | GLN | GLN | VAL | MET | TYR | VAL | LEU | LEU | ASN | ||||
| 10 | LEU | LYS | ARG | ARG | LYS | LEU | GLY | VAL | ARG | GLU | ||||
| 11 | LEU | VAL | THR | LEU | LEU | GLU | GLN | THR | VAL | VAL | ||||
| 12 | ASN | THR | LEU | ALA | GLU | LEU | GLY | ILE | GLU | ALA | ||||
| 13 | HIS | PRO | ARG | ALA | ASP | ALA | PRO | GLY | VAL | TYR | ||||
| 14 | VAL | GLY | GLU | LYS | LYS | ILE | CYS | SER | LEU | GLY | ||||
| 15 | LEU | ARG | ILE | ARG | ARG | GLY | CYS | SER | PHE | HIS | ||||
| 16 | GLY | LEU | ALA | LEU | ASN | VAL | ASN | MET | ASP | LEU | ||||
| 17 | SER | PRO | PHE | LEU | ARG | ILE | ASN | PRO | CYS | GLY | ||||
| 18 | TYR | ALA | GLY | MET | GLU | MET | ALA | LYS | ILE | SER | ||||
| 19 | GLN | TRP | LYS | PRO | GLU | ALA | THR | THR | ASN | ASN | ||||
| 20 | ILE | ALA | PRO | ARG | LEU | LEU | GLU | ASN | ILE | LEU | ||||
| 21 | ALA | LEU | LEU | ASN | ASN | PRO | ASP | PHE | GLU | TYR | ||||
| 22 | ILE | THR | ALA |
Samples:
sample_1: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.2112 uM; E. coli 3-oxoacyl-[acyl-carrier-protein] synthase 2 0.1055 mM
sample_2: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.1055 mM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC C10-AcpP LipB titration saturated | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC C10-AcpP LipB titration zero point | 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