BMRB Entry 6962
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6962
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Zornetzer, Gregory; Fox, Brian; Markley, John. "Solution Structures of Spinach Acyl Carrier Protein with Decanoate and Stearate" Biochemistry 45, 5217-5227 (2006).
PubMed: 16618110
Assembly members:
Acyl Carrier Protein, polymer, 82 residues, Formula weight is not available
PNS, non-polymer, 358.348 Da.
DKA, non-polymer, 172.265 Da.
Natural source: Common Name: Spinach Taxonomy ID: 3562 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Spinacia oleracea
Experimental source: Production method: recombinant technology Vector: pSACP-2t
Entity Sequences (FASTA):
Acyl Carrier Protein: AKKETIDKVSDIVKEKLALG
ADVVVTADSEFSKLGADSLD
TVEIVMNLEEEFGINVDEDK
AQDISTIQQAADVIEGLLEK
KA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 343 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 612 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | acyl carrier protein | 1 |
| 2 | Phosphopantetheine | 2 |
| 3 | Decanoate | 3 |
Entities:
Entity 1, acyl carrier protein 82 residues - Formula weight is not available
| 1 | ALA | LYS | LYS | GLU | THR | ILE | ASP | LYS | VAL | SER | ||||
| 2 | ASP | ILE | VAL | LYS | GLU | LYS | LEU | ALA | LEU | GLY | ||||
| 3 | ALA | ASP | VAL | VAL | VAL | THR | ALA | ASP | SER | GLU | ||||
| 4 | PHE | SER | LYS | LEU | GLY | ALA | ASP | SER | LEU | ASP | ||||
| 5 | THR | VAL | GLU | ILE | VAL | MET | ASN | LEU | GLU | GLU | ||||
| 6 | GLU | PHE | GLY | ILE | ASN | VAL | ASP | GLU | ASP | LYS | ||||
| 7 | ALA | GLN | ASP | ILE | SER | THR | ILE | GLN | GLN | ALA | ||||
| 8 | ALA | ASP | VAL | ILE | GLU | GLY | LEU | LEU | GLU | LYS | ||||
| 9 | LYS | ALA |
Entity 2, Phosphopantetheine - C11 H23 N2 O7 P S - 358.348 Da.
| 1 | PNS |
Entity 3, Decanoate - C10 H20 O2 - 172.265 Da.
| 1 | DKA |
Samples:
15N_10-0-ACP: Acyl Carrier Protein, [U-15N], 2 ± 0.1 mM; MES pH 6.1 10 ± 1 mM; NaCl 100 ± 3 mM
13C-15N_10-0-ACP: Acyl Carrier Protein, [U-15N; U-13C], 2 ± 0.1 mM; MES pH 6.1 10 ± 1 mM; NaCl 100 ± 3 mM
conditions_1: ionic strength: 100 mM; pH: 6.1; temperature: 287 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H15N HSQC | not available | not available | conditions_1 |
| TOCSY-15N HSQC | not available | not available | conditions_1 |
| NOESY-15N HSQC | not available | not available | conditions_1 |
| HNCO | 13C-15N_10-0-ACP | not available | conditions_1 |
| HNCACB | 13C-15N_10-0-ACP | not available | conditions_1 |
| C(CO)NH TOCSY | not available | not available | conditions_1 |
| H(CCO)NH TOCSY | not available | not available | conditions_1 |
| H(C)CH TOCSY | not available | not available | conditions_1 |
| NOESY-13C HSQC | not available | not available | conditions_1 |
| NOESY-aromatic 13C HSQC | not available | not available | conditions_1 |
| f1-filtered 1H NOESY | not available | not available | conditions_1 |
| f1-filtered 1H TOCSY | not available | not available | conditions_1 |
| f1-filtered NOESY-15N HSQC | not available | not available | conditions_1 |
| f1-filtered NOESY-13C HSQC | not available | not available | conditions_1 |
Software:
xwinnmr v2.6, Bruker - Data acquisition
VNMR v6.1, Varian, Inc. - data acquisition
NMRPipe, Bax Group: NIH - data processing, automated peak picking, angular restraint generation (TALOS)
SPARKY v3.111, UCSF - manual peak picking, assignment
NMR spectrometers:
- Bruker DMX 500 MHz
- Bruker DMX 600 MHz
- Bruker DMX 750 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks