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 36150

Title: LPS bound solution NMR structure of WS2-VR18   PubMed: 30658284

Deposition date: 2018-01-05 Original release date: 2019-02-04

Authors: Bhunia, A.; Mohid, S.

Citation: Mohid, Sk Abdul; Ghorai, Arup; Ilyas, Humaira; Mroue, Kamal; Narayanan, Gomathy; Sarkar, Abhisek; Ray, Samit; Biswas, Kaushik; Bera, Amal Kanti; Malmsten, Martin; Midya, Anupam; Bhunia, Anirban. "Application of tungsten disulfide quantum dot-conjugated antimicrobial peptides in bio-imaging and antimicrobial therapy."  Colloids Surf. B Biointerfaces 176, 360-370 (2019).

Assembly members:
VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG, polymer, 18 residues, 2066.479 Da.

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG: VARGWGRKCPLFGKNKSR

Data sets:
Data typeCount
1H chemical shifts94

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 18 residues - 2066.479 Da.

1   VALALAARGGLYTRPGLYARGLYSCYSPRO
2   LEUPHEGLYLYSASNLYSSERARG

Samples:

sample_1: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG 0.5 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D trNOESYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement

SPARKY v3.114, Goddard - chemical shift assignment

TOPSPIN v3.1, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceIII 700 MHz