BMRB Entry 6333
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6333
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Title: 1H, 13C, and 15N chenical shift assignments for ABA-1A with oleic acid bound
Deposition date: 2004-09-29 Original release date: 2005-07-26
Authors: Meenan, Nicola; Cooper, Alan; Kennedy, Malcolm; Smith, Brian
Citation: Meenan, Nicola; Cooper, Alan; Kennedy, Malcolm; Smith, Brian. "Resonance assignment of ABA-1A, from Ascaris suum nematode polyprotein allergen" J. Biomol. NMR 32, 176-176 (2005).
Assembly members:
ABA-1A, polymer, 134 residues, Formula weight is not available
OLEIC ACID, non-polymer, 282.461 Da.
Natural source: Common Name: Ascaris suum Taxonomy ID: 6253 Superkingdom: Eukaryota Kingdom: Animalia Genus/species: Ascaris suum
Experimental source: Production method: recombinant technology Host organism: coli
Entity Sequences (FASTA):
ABA-1A: GSPEFHHFTLESSLDTHLKW
LSQEQKDELLKMKKDGKAKK
ELEAKILHYYDELEGDAKKE
ATEHLKGGCREILKHVVGEE
KAAELKNLKDSGASKEELKA
KVEEALHAVTDEEKKQYIAD
FGPACKKIYGVHTS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 446 |
| 15N chemical shifts | 129 |
| 1H chemical shifts | 854 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ABA-1A | 1 |
| 2 | oleic acid | 2 |
Entities:
Entity 1, ABA-1A 134 residues - Formula weight is not available
| 1 | GLY | SER | PRO | GLU | PHE | HIS | HIS | PHE | THR | LEU | ||||
| 2 | GLU | SER | SER | LEU | ASP | THR | HIS | LEU | LYS | TRP | ||||
| 3 | LEU | SER | GLN | GLU | GLN | LYS | ASP | GLU | LEU | LEU | ||||
| 4 | LYS | MET | LYS | LYS | ASP | GLY | LYS | ALA | LYS | LYS | ||||
| 5 | GLU | LEU | GLU | ALA | LYS | ILE | LEU | HIS | TYR | TYR | ||||
| 6 | ASP | GLU | LEU | GLU | GLY | ASP | ALA | LYS | LYS | GLU | ||||
| 7 | ALA | THR | GLU | HIS | LEU | LYS | GLY | GLY | CYS | ARG | ||||
| 8 | GLU | ILE | LEU | LYS | HIS | VAL | VAL | GLY | GLU | GLU | ||||
| 9 | LYS | ALA | ALA | GLU | LEU | LYS | ASN | LEU | LYS | ASP | ||||
| 10 | SER | GLY | ALA | SER | LYS | GLU | GLU | LEU | LYS | ALA | ||||
| 11 | LYS | VAL | GLU | GLU | ALA | LEU | HIS | ALA | VAL | THR | ||||
| 12 | ASP | GLU | GLU | LYS | LYS | GLN | TYR | ILE | ALA | ASP | ||||
| 13 | PHE | GLY | PRO | ALA | CYS | LYS | LYS | ILE | TYR | GLY | ||||
| 14 | VAL | HIS | THR | SER |
Entity 2, oleic acid - C18 H34 O2 - 282.461 Da.
| 1 | OLA |
Samples:
sample: ABA-1A, [U-15N; U-13C], 2 mM; OLEIC ACID 2 mM; phosphate buffer 50 mM; sodium chloride 50 mM
sample_conditions: pH*: 7; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N HSQC | sample | not available | sample_conditions |
| 13C HSQC | sample | not available | sample_conditions |
| CBCA(CO)NH | sample | not available | sample_conditions |
| HNCACB | sample | not available | sample_conditions |
| HNCO | sample | not available | sample_conditions |
| HNCACO | sample | not available | sample_conditions |
| (H)CCONH-TOCSY | sample | not available | sample_conditions |
| H(C)CONH-TOCSY | sample | not available | sample_conditions |
| HBHA(CBCA)NH | sample | not available | sample_conditions |
| Me-CC-TOCSY | sample | not available | sample_conditions |
| Me-HCC-TOCSY | sample | not available | sample_conditions |
| HCCH-TOCSY | sample | not available | sample_conditions |
| HBCBCGCDHD | sample | not available | sample_conditions |
| HBCBCGCDCEHE | sample | not available | sample_conditions |
| 15N-NOESY | sample | not available | sample_conditions |
| 13C-NOESY | sample | not available | sample_conditions |
Software:
AZARA v2, Wayne Boucher - processing
ANSIG v3.3, Per Kraulis - assignment
formatConverter v1.0.b18, CCPN/EMBL - conversion to NMR_STAR
NMR spectrometers:
- Bruker Avance 600.13 MHz
- Bruker Avance 599.98 MHz
- Bruker Avance 800.13 MHz
- Bruker Avance 700.13 MHz
- Varian Inova 600.13 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts