BMRB Entry 16624
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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/BMR16624
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Title: Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase PubMed: 20136099
Deposition date: 2009-12-03 Original release date: 2010-02-09
Authors: Wattana-amorn, Pakorn; Williams, Christopher; Ploskon, Eliza; Cox, Russell; Simpson, Thomas; Crosby, John; Crump, Matthew
Citation: Wattana-amorn, Pakorn; Williams, Christopher; Posko, Eliza; Cox, Russell; Simpson, Thomas; Crosby, John; Crump, Matthew. "Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase." Biochemistry 49, 2186-2193 (2010).
Assembly members:
ACP, polymer, 89 residues, 9429.646 Da.
Natural source: Common Name: Aspergillus parasiticus Taxonomy ID: 5067 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aspergillus parasiticus
Experimental source: Production method: recombinant technology Host organism: Aspergillus parasiticus
Entity Sequences (FASTA):
ACP: AMAKGVGVSNEKLDAVMRVV
SEESGIALEELTDDSNFADM
GIDXLSSMVIGSRFREDLGL
DLGPEFSLFIDCTTVRALKD
FMLGSGDAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 365 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 601 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ACP | 1 |
Entities:
Entity 1, ACP 89 residues - 9429.646 Da.
| 1 | ALA | MET | ALA | LYS | GLY | VAL | GLY | VAL | SER | ASN | ||||
| 2 | GLU | LYS | LEU | ASP | ALA | VAL | MET | ARG | VAL | VAL | ||||
| 3 | SER | GLU | GLU | SER | GLY | ILE | ALA | LEU | GLU | GLU | ||||
| 4 | LEU | THR | ASP | ASP | SER | ASN | PHE | ALA | ASP | MET | ||||
| 5 | GLY | ILE | ASP | PNS | LEU | SER | SER | MET | VAL | ILE | ||||
| 6 | GLY | SER | ARG | PHE | ARG | GLU | ASP | LEU | GLY | LEU | ||||
| 7 | ASP | LEU | GLY | PRO | GLU | PHE | SER | LEU | PHE | ILE | ||||
| 8 | ASP | CYS | THR | THR | VAL | ARG | ALA | LEU | LYS | ASP | ||||
| 9 | PHE | MET | LEU | GLY | SER | GLY | ASP | ALA | GLY |
Samples:
sample_1: ACP, [U-95% 13C; U-95% 15N], 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 5.8; 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 |
Software:
ARIA v1.2, Linge, O, . - structure solution
ANALYSIS v1.0, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAC45240 BAE59509 BAE71314 |
| GB | AAC41674 AAC41675 AAR32704 AAS66004 AAS90022 |
| PRF | 2123354A |
| REF | XP_001821511 XP_002379951 |
| SP | Q12053 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts