BMRB Entry 18363
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18363
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Title: 'Backbone Chemical Shift Assignments for Scylla Serrata anti lipopolysaccharide Factor-24 (SsALF-24) peptide'
Deposition date: 2012-03-29 Original release date: 2013-04-01
Authors: Reddy, K.V.R.; Sharma, Sachin; Yedery, Roshan; Barnwal, Ravi
Citation: Sharma, Sachin; Barnwal, Ravi P; Yedery, RD; Reddy, KVR. "Structure and NMR assignments of Scylla Serrata anti lipopolysaccharide Factor-24 (SsALF-24)" Not known ., .-..
Assembly members:
Scylla_Serrata_anti_lipopolysaccharide_Factor-24, polymer, 24 residues, 3116.821 Da.
Natural source: Common Name: giant mud crab Taxonomy ID: 6761 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scylla serrata
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Scylla_Serrata_anti_lipopolysaccharide_Factor-24: TCHIRRKPKFRKFKLYHEGK
FWCP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 48 |
| 15N chemical shifts | 25 |
| 1H chemical shifts | 154 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SsALF-24 peptide | 1 |
Entities:
Entity 1, SsALF-24 peptide 24 residues - 3116.821 Da.
| 1 | THR | CYS | HIS | ILE | ARG | ARG | LYS | PRO | LYS | PHE | ||||
| 2 | ARG | LYS | PHE | LYS | LEU | TYR | HIS | GLU | GLY | LYS | ||||
| 3 | PHE | TRP | CYS | PRO |
Samples:
sample_1: Scylla Serrata anti lipopolysaccharide Factor-24 0.5 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.0, Bruker Biospin - collection, processing
CcpNMR v2.1.5, CCPN - chemical shift assignment, data analysis, peak picking
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
TALOS+, Cornilescu, Delaglio and Bax - phi-psi angle calculation
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts