BMRB Entry 25306
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25306
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Title: 1H, 13C and 15N chemical shift assignments for Oscillatoria agardhii agglutinin PubMed: 25680849
Deposition date: 2014-10-30 Original release date: 2015-08-25
Authors: Lee, Donghan; Carneiro, Marta; Koharudin, Leonardus; Griesinger, Christian; Gronenborn, Angela
Citation: Carneiro, Marta; Koharudin, Leonardus; Griesinger, Christian; Gronenborn, Angela; Lee, Donghan. "1H, 13C and 15N resonance assignment of the anti-HIV lectin from Oscillatoria agardhii" Biomol. NMR Assign. 9, 317-319 (2015).
Assembly members:
OAA, polymer, 133 residues, Formula weight is not available
Natural source: Common Name: Planktothrix agardhii Taxonomy ID: 1160 Superkingdom: Bacteria Kingdom: not available Genus/species: Planktothrix agardhii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
OAA: MALYNVENQWGGSSAPWNEG
GQWEIGSRSDQNVVAINVES
GDDGQTLNGTMTYAGEGPIG
FRATLLGNNSYEVENQWGGD
SAPWHSGGNWILGSRENQNV
VAINVESGDDGQTLNGTMTY
AGEGPIGFKGTLT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 511 |
| 15N chemical shifts | 157 |
| 1H chemical shifts | 839 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | OAA monomer | 1 |
Entities:
Entity 1, OAA monomer 133 residues - Formula weight is not available
| 1 | MET | ALA | LEU | TYR | ASN | VAL | GLU | ASN | GLN | TRP | ||||
| 2 | GLY | GLY | SER | SER | ALA | PRO | TRP | ASN | GLU | GLY | ||||
| 3 | GLY | GLN | TRP | GLU | ILE | GLY | SER | ARG | SER | ASP | ||||
| 4 | GLN | ASN | VAL | VAL | ALA | ILE | ASN | VAL | GLU | SER | ||||
| 5 | GLY | ASP | ASP | GLY | GLN | THR | LEU | ASN | GLY | THR | ||||
| 6 | MET | THR | TYR | ALA | GLY | GLU | GLY | PRO | ILE | GLY | ||||
| 7 | PHE | ARG | ALA | THR | LEU | LEU | GLY | ASN | ASN | SER | ||||
| 8 | TYR | GLU | VAL | GLU | ASN | GLN | TRP | GLY | GLY | ASP | ||||
| 9 | SER | ALA | PRO | TRP | HIS | SER | GLY | GLY | ASN | TRP | ||||
| 10 | ILE | LEU | GLY | SER | ARG | GLU | ASN | GLN | ASN | VAL | ||||
| 11 | VAL | ALA | ILE | ASN | VAL | GLU | SER | GLY | ASP | ASP | ||||
| 12 | GLY | GLN | THR | LEU | ASN | GLY | THR | MET | THR | TYR | ||||
| 13 | ALA | GLY | GLU | GLY | PRO | ILE | GLY | PHE | LYS | GLY | ||||
| 14 | THR | LEU | THR |
Samples:
15N: OAA, [U-100% 15N], 2 mM; sodium chloride 20 mM; sodium acetate 20 mM; sodium azide 3 mM
13C15N: OAA, [U-100% 13C; U-100% 15N], 2 mM; sodium chloride 20 mM; sodium acetate 20 mM; sodium azide 3 mM
13C15N_d2o: OAA, [U-100% 13C; U-100% 15N], 2 mM; sodium chloride 20 mM; sodium acetate 20 mM; sodium azide 3 mM
sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | 13C15N_d2o | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | 13C15N_d2o | isotropic | sample_conditions_1 |
| 3D HNCA | 13C15N | isotropic | sample_conditions_1 |
| 3D HNCO | 13C15N | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 13C15N_d2o | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 15N | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | 13C15N | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | 13C15N | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Keller and Wuthrich - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 700 MHz
- Bruker Avance 800 MHz
- Bruker Avance 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts