BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18363

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

Data sets:
Data typeCount
13C chemical shifts48
15N chemical shifts25
1H chemical shifts154

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1SsALF-24 peptide1

Entities:

Entity 1, SsALF-24 peptide 24 residues - 3116.821 Da.

1   THRCYSHISILEARGARGLYSPROLYSPHE
2   ARGLYSPHELYSLEUTYRHISGLUGLYLYS
3   PHETRPCYSPRO

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_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

Related Database Links:

PDB
GB ACH87655 AKF40834
SP B5TTX7

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts