BMRB Entry 18108
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/BMR18108
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: 13C, 15N solid-state MAS NMR chemical shift assignment for YadA membrane anchor domain. PubMed: 23150774
Deposition date: 2011-11-29 Original release date: 2012-11-09
Authors: Shahid, Shakeel; Markovic, Stefan; Bardiaux, Benjamin; Habeck, Michael; Linke, Dirk; van Rossum, Barth-Jan
Citation: Shahid, Shakeel; Markovic, Stefan; Linke, Dirk; van Rossum, Barth-Jan. "Assignment and secondary structure of the YadA membrane protein by solid-state MAS NMR." Sci. Rep. 2, 803-803 (2012).
Assembly members:
YadA_membrane_anchor_domain, polymer, 105 residues, 11200 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
YadA_membrane_anchor_domain: GDQASWSHPQFEKGAHKFRQ
LDNRLDKLDTRVDKGLASSA
ALNSLFQPYGVGKVNFTAGV
GGYRSSQALAIGSGYRVNES
VALKAGVAYAGSSDVMYNAS
FNIEW
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 408 |
| 15N chemical shifts | 89 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | YadA_membrane_anchor_domain_1 | 1 |
| 2 | YadA_membrane_anchor_domain_2 | 1 |
| 3 | YadA_membrane_anchor_domain_3 | 1 |
Entities:
Entity 1, YadA_membrane_anchor_domain_1 105 residues - 11200 Da.
Residues 1-15 belong non native strep tag which was introduced.
| 1 | GLY | ASP | GLN | ALA | SER | TRP | SER | HIS | PRO | GLN | ||||
| 2 | PHE | GLU | LYS | GLY | ALA | HIS | LYS | PHE | ARG | GLN | ||||
| 3 | LEU | ASP | ASN | ARG | LEU | ASP | LYS | LEU | ASP | THR | ||||
| 4 | ARG | VAL | ASP | LYS | GLY | LEU | ALA | SER | SER | ALA | ||||
| 5 | ALA | LEU | ASN | SER | LEU | PHE | GLN | PRO | TYR | GLY | ||||
| 6 | VAL | GLY | LYS | VAL | ASN | PHE | THR | ALA | GLY | VAL | ||||
| 7 | GLY | GLY | TYR | ARG | SER | SER | GLN | ALA | LEU | ALA | ||||
| 8 | ILE | GLY | SER | GLY | TYR | ARG | VAL | ASN | GLU | SER | ||||
| 9 | VAL | ALA | LEU | LYS | ALA | GLY | VAL | ALA | TYR | ALA | ||||
| 10 | GLY | SER | SER | ASP | VAL | MET | TYR | ASN | ALA | SER | ||||
| 11 | PHE | ASN | ILE | GLU | TRP |
Samples:
sample_1: YadA membrane anchor domain, [U-13C; U-15N], 11.5 M
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 275 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 13C-13C DARR 25 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR 50 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR 100 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR-CP- 15 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR-CP- 40 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DARR-CP- 70 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C PDSD 15 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C PDSD 100 ms | sample_1 | solid | sample_conditions_1 |
| 2D 1H-13C INEPT | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DREAM 1.5 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DREAM AB | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C DREAM BG | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C Me-only 70 ms | sample_1 | solid | sample_conditions_1 |
| 2D 13C-13C REDOR 1 ms | sample_1 | solid | sample_conditions_1 |
| 2D 15N-13C NCA | sample_1 | solid | sample_conditions_1 |
| 2D 15N-13C NCO | sample_1 | solid | sample_conditions_1 |
| 2D NCACX | sample_1 | solid | sample_conditions_1 |
| 2D NCOCX | sample_1 | solid | sample_conditions_1 |
| 3D NCACX 25 ms | sample_1 | solid | sample_conditions_1 |
| 3D NCOCX 25 ms | sample_1 | solid | sample_conditions_1 |
| 3D NCACX 100 ms | sample_1 | solid | sample_conditions_1 |
| 3D NCACX 200 ms | sample_1 | solid | sample_conditions_1 |
| 3D NCOCX 200 ms | sample_1 | solid | sample_conditions_1 |
| 3D NCACX 500 ms | sample_1 | solid | sample_conditions_1 |
| 3D NCACB 3 ms | sample_1 | solid | sample_conditions_1 |
Software:
SPARKY v3.113, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
- Bruker Avance 900 MHz