BMRB Entry 16526
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16526
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Title: NMR solution structures of 3-hydroxyoctanoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase PubMed: 20659690
Deposition date: 2009-09-29 Original release date: 2010-09-03
Authors: Ploskon, Eliza; Arthur, Christopher; Kanari, Amelia; Crump, Matthew
Citation: Ploskon, Eliza; Arthur, Christopher; Kanari, Amelia; Wattana-amorn, Pakorn; Williams, Christopher; Crosby, John; Simpson, Thomas; Willis, Christine; Crump, Matthew. "Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis" Chem. Biol. 17, 776-785 (2010).
Assembly members:
ACP, polymer, 81 residues, 8793.860 Da.
5-HYDROXYLAEVULINIC ACID, non-polymer, 118.131 Da.
Natural source: Common Name: Streptomyces coelicolor Taxonomy ID: 1902 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptomyces coelicolor
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
ACP: AATQEEIVAGLAEIVNEIAG
IPVEDVKLDKSFTDDLDVDS
LSMVEVVVAAEERFDVKIPD
DDVKNLKTVGDATKYILDHQ
A
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 248 |
| 15N chemical shifts | 82 |
| 1H chemical shifts | 604 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ACP | 1 |
| 2 | 3-hydroxyoctanoyl phosphopantetheine | 2 |
Entities:
Entity 1, ACP 81 residues - 8793.860 Da.
| 1 | ALA | ALA | THR | GLN | GLU | GLU | ILE | VAL | ALA | GLY | ||||
| 2 | LEU | ALA | GLU | ILE | VAL | ASN | GLU | ILE | ALA | GLY | ||||
| 3 | ILE | PRO | VAL | GLU | ASP | VAL | LYS | LEU | ASP | LYS | ||||
| 4 | SER | PHE | THR | ASP | ASP | LEU | ASP | VAL | ASP | SER | ||||
| 5 | LEU | SER | MET | VAL | GLU | VAL | VAL | VAL | ALA | ALA | ||||
| 6 | GLU | GLU | ARG | PHE | ASP | VAL | LYS | ILE | PRO | ASP | ||||
| 7 | ASP | ASP | VAL | LYS | ASN | LEU | LYS | THR | VAL | GLY | ||||
| 8 | ASP | ALA | THR | LYS | TYR | ILE | LEU | ASP | HIS | GLN | ||||
| 9 | ALA |
Entity 2, 3-hydroxyoctanoyl phosphopantetheine - C5 H10 O3 - 118.131 Da.
| 1 | SHO |
Samples:
sample_1: potassium phosphate 10 mM; sodium azide 0.5 mM; 3-hydroxyoctanoyl phosphopantetheine 1 mM; ACP, [U-99% 13C; U-99% 15N], 1 mM; H2O 95%; D2O 5%
sample_2: potassium phosphate 10 mM; sodium azide 0.5 mM; 3-hydroxyoctanoyl phosphopantetheine 1 mM; ACP, [U-99% 13C; U-99% 15N], 1 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 10 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 10 mM; 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D F2 13C Filtered NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
ARIA v1.2, Linge, O, . - refinement, structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CCPN_Analysis v1.0, Fogh, Vranken, Boucher, Stevens, Laue - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 600 MHz
Related Database Links:
| BMRB | 16524 16525 16527 16528 |
| PDB | |
| EMBL | CAA60201 CAB62721 |
| GB | AIJ16063 AKN69294 EFD69505 EOY47436 KKD12355 |
| REF | NP_626635 WP_003976417 WP_018530896 WP_030777934 WP_052842858 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts