BMRB Entry 36754
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36754
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Suh, J.; Hong, S.. "Structure of AcrIE5" .
Assembly members:
AcrIE5, polymer, 66 residues, 7580.273 Da.
Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: not available Kingdom: Pseudomonadati Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
AcrIE5: GMSNDRNGIINQIIDYTGTD
RDHAERIYEELRADDRIYFD
DSVGLDRQGLLIREDVDLMA
VAAEIE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 270 |
| 15N chemical shifts | 68 |
| 1H chemical shifts | 415 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 66 residues - 7580.273 Da.
| 1 | GLY | MET | SER | ASN | ASP | ARG | ASN | GLY | ILE | ILE | ||||
| 2 | ASN | GLN | ILE | ILE | ASP | TYR | THR | GLY | THR | ASP | ||||
| 3 | ARG | ASP | HIS | ALA | GLU | ARG | ILE | TYR | GLU | GLU | ||||
| 4 | LEU | ARG | ALA | ASP | ASP | ARG | ILE | TYR | PHE | ASP | ||||
| 5 | ASP | SER | VAL | GLY | LEU | ASP | ARG | GLN | GLY | LEU | ||||
| 6 | LEU | ILE | ARG | GLU | ASP | VAL | ASP | LEU | MET | ALA | ||||
| 7 | VAL | ALA | ALA | GLU | ILE | GLU |
Samples:
sample_1: AcrIE5, [U-100% 13C; U-100% 15N], 0.5 mM; protease inhibitor cocktail (Merck, S8820); NaCl 100 mM; sodium phosphate 10 mM; H2O 90 % v/v; D2O, [U-2H], 10 % v/v
sample_conditions_1: ionic strength: 100 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation
PIPP, Garrett - chemical shift assignment
PIPP, Garrett - peak picking
NMR spectrometers:
- Bruker AVANCE III 900 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks