BMRB Entry 17355
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17355
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR solution structure of meACP PubMed: 21674045
Deposition date: 2010-12-09 Original release date: 2012-07-25
Authors: Lim, Jack Wee; Yang, Daiwen; Rong, Kong; Murugan, Elavazhagan; Ho, Lawrence; Liang, Zhao-Xun
Citation: Lim, Jack Wee; Rong, Kong; Murugan, Elavazhagan; Ho, Lawrence; Liang, Zhao-Xun; Yang, Daiwen. "Solution structures of the acyl carrier protein domain from the highly reducing type I iterative polyketide synthase CalE8" PLoS One 6, e20549-e20549 (2011).
Assembly members:
meACP, polymer, 102 residues, 11222.739 Da.
Natural source: Common Name: Micromonospora echinospora Taxonomy ID: 1877 Superkingdom: Bacteria Kingdom: not available Genus/species: Micromonospora echinospora
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
meACP: MARADDTALPAATGALELVR
HLVAERAELPVEVLRDDSRF
LDDLHMSSITVGQLVNEAAR
AMGLSAVAMPTNFATATVRE
MAEALEAREREAPHLEHHHH
HH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 304 |
| 15N chemical shifts | 94 |
| 1H chemical shifts | 591 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | meACP | 1 |
Entities:
Entity 1, meACP 102 residues - 11222.739 Da.
| 1 | MET | ALA | ARG | ALA | ASP | ASP | THR | ALA | LEU | PRO | ||||
| 2 | ALA | ALA | THR | GLY | ALA | LEU | GLU | LEU | VAL | ARG | ||||
| 3 | HIS | LEU | VAL | ALA | GLU | ARG | ALA | GLU | LEU | PRO | ||||
| 4 | VAL | GLU | VAL | LEU | ARG | ASP | ASP | SER | ARG | PHE | ||||
| 5 | LEU | ASP | ASP | LEU | HIS | MET | SER | SER | ILE | THR | ||||
| 6 | VAL | GLY | GLN | LEU | VAL | ASN | GLU | ALA | ALA | ARG | ||||
| 7 | ALA | MET | GLY | LEU | SER | ALA | VAL | ALA | MET | PRO | ||||
| 8 | THR | ASN | PHE | ALA | THR | ALA | THR | VAL | ARG | GLU | ||||
| 9 | MET | ALA | GLU | ALA | LEU | GLU | ALA | ARG | GLU | ARG | ||||
| 10 | GLU | ALA | PRO | HIS | LEU | GLU | HIS | HIS | HIS | HIS | ||||
| 11 | HIS | HIS |
Samples:
sample_1: sodium phosphate 50 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM; meACP, [U-99% 13C; U-99% 15N], 1 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.85; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C 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 |
| 4D timeshared15N-13C edited NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D MQ-(H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRspy v20101110, Zheng Yu - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
Molmol v2K.2, Koradi, Billeter and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts