BMRB Entry 7389
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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/BMR7389
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Title: sPLA2 inhibitor 9 PubMed: 17973469
Deposition date: 2007-04-20 Original release date: 2008-02-20
Authors: Thwin, M.; Satyanarayanajois, D.; Nagarajarao, L.; Sato, K.; Gopalakrishnakone, P.; Arjunan, P.
Citation: Thwin, M.; Satyanarayanajois, D.; Nagarajarao, L.; Sato, K.; Arjunan, P.; Ramapatna, S.; Kumna, P.; Gopalakrishnakone, P.. "Novel peptide inhibitors of human secretory phospholipase A2 with antiinflammatory activity: solution structure and molecular modeling." J. Med. Chem. 50, 5938-5950 (2007).
Assembly members:
pip9, polymer, 9 residues, Formula weight is not available
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
pip9: VDIHVWDGV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 51 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | pip9 | 1 |
Entities:
Entity 1, pip9 9 residues - Formula weight is not available
| 1 | VAL | ASP | ILE | HIS | VAL | TRP | ASP | GLY | VAL |
Samples:
sample: pip9 4.5 mM; Dimethyl sulfoxide 50%; H2O 50%
sample_conditions_1: ionic strength: . .; pressure: 1 atm; temperature: . K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, GUNTERT, P. ET AL. - refinement
CYANA v2.1, GUNTERT, P. ET AL. - structure solution
NMR spectrometers:
- Bruker AVANCE 500 MHz
- Bruker AVANCE 800 MHz