BMRB Entry 50596
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50596
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Title: Solution structure and conformational dynamics of a doublet acyl carrier protein from prodigiosin biosynthesis PubMed: 33416314
Deposition date: 2020-11-27 Original release date: 2021-06-30
Authors: Thongkawphueak, Thitapa; Winter, Ashley; Williams, Christopher; Maple, Hannah; Soontaranon, Siriwat; Kaewhan, Chonthicha; Campopiano, Dominic; Crump, Matthew; Wattana-Amorn, Pakorn
Citation: Thongkawphueak, Thitapa; Winter, Ashley; Williams, Christopher; Maple, Hannah; Soontaranon, Siriwat; Kaewhan, Chonthicha; Campopiano, Dominic; Crump, Matthew; Wattana-Amorn, Pakorn. "Solution Structure and Conformational Dynamics of a Doublet Acyl Carrier Protein from Prodigiosin Biosynthesis." Biochemistry 60, 219-230 (2021).
Assembly members:
entity_1, polymer, 205 residues, Formula weight is not available
Natural source: Common Name: Serratia sp. ATCC 39006 Taxonomy ID: 104623 Superkingdom: Bacteria Kingdom: not available Genus/species: Serratia Serratia sp. ATCC 39006
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pPigHACP1ACP2-pET28a
Entity Sequences (FASTA):
entity_1: GSHMNDVTTETYETLKQSVL
HTFAQLTGYNVSELSLTSHL
ENDLGVDSIALAEIAVSLSR
QFQLNTPLLIQDINTIKDAL
DGILQREFQLSEKVEPAAIA
LSGDADLWLGNLVRQIFASH
SGYDVNALALDAEIESDLGI
DSVSVASAQGELFNTLQLNS
ETIIANCNTLSALKQCLAAR
LVQEKGQDWFELTRAPPPPP
LRSGC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 850 |
| 15N chemical shifts | 224 |
| 1H chemical shifts | 1413 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ACP1ACP2 monomer | 1 |
Entities:
Entity 1, ACP1ACP2 monomer 205 residues - Formula weight is not available
| 1 | GLY | SER | HIS | MET | ASN | ASP | VAL | THR | THR | GLU | ||||
| 2 | THR | TYR | GLU | THR | LEU | LYS | GLN | SER | VAL | LEU | ||||
| 3 | HIS | THR | PHE | ALA | GLN | LEU | THR | GLY | TYR | ASN | ||||
| 4 | VAL | SER | GLU | LEU | SER | LEU | THR | SER | HIS | LEU | ||||
| 5 | GLU | ASN | ASP | LEU | GLY | VAL | ASP | SER | ILE | ALA | ||||
| 6 | LEU | ALA | GLU | ILE | ALA | VAL | SER | LEU | SER | ARG | ||||
| 7 | GLN | PHE | GLN | LEU | ASN | THR | PRO | LEU | LEU | ILE | ||||
| 8 | GLN | ASP | ILE | ASN | THR | ILE | LYS | ASP | ALA | LEU | ||||
| 9 | ASP | GLY | ILE | LEU | GLN | ARG | GLU | PHE | GLN | LEU | ||||
| 10 | SER | GLU | LYS | VAL | GLU | PRO | ALA | ALA | ILE | ALA | ||||
| 11 | LEU | SER | GLY | ASP | ALA | ASP | LEU | TRP | LEU | GLY | ||||
| 12 | ASN | LEU | VAL | ARG | GLN | ILE | PHE | ALA | SER | HIS | ||||
| 13 | SER | GLY | TYR | ASP | VAL | ASN | ALA | LEU | ALA | LEU | ||||
| 14 | ASP | ALA | GLU | ILE | GLU | SER | ASP | LEU | GLY | ILE | ||||
| 15 | ASP | SER | VAL | SER | VAL | ALA | SER | ALA | GLN | GLY | ||||
| 16 | GLU | LEU | PHE | ASN | THR | LEU | GLN | LEU | ASN | SER | ||||
| 17 | GLU | THR | ILE | ILE | ALA | ASN | CYS | ASN | THR | LEU | ||||
| 18 | SER | ALA | LEU | LYS | GLN | CYS | LEU | ALA | ALA | ARG | ||||
| 19 | LEU | VAL | GLN | GLU | LYS | GLY | GLN | ASP | TRP | PHE | ||||
| 20 | GLU | LEU | THR | ARG | ALA | PRO | PRO | PRO | PRO | PRO | ||||
| 21 | LEU | ARG | SER | GLY | CYS |
Samples:
sample_1: PigH ACP1-ACP2, [U-95% 13C; U-95% 15N], 360 uM
sample_2: PigH ACP1-ACP2, [U-99% 15N], 400 uM
sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v2.4.2 - chemical shift assignment
NMRPipe - processing
TALOS-N - data analysis
ARIA2 v2.3 - structure solution
CNS v1.2 - structure solution
NMR spectrometers:
- Varian VNMRS 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts