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Biological Magnetic Resonance Data Bank


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BMRB Entry 25704

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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/BMR25704
MolProbity Validation Chart

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Title: Solution NMR structure of the lasso peptide chaxapeptin   PubMed: 26402731

Deposition date: 2015-07-14 Original release date: 2015-09-30

Authors: Elsayed, Somayah; Trusch, Franziska; Deng, Hai; Raab, Andrea; Prokes, Ivan; Busarakam, Kanungnid; Asenjo, Juan; Andrews, Barbara; van West, Pieter; Bull, Alan; Goodfellow, Micheael; Yi, Yu; Ebel, Rainer; Jaspars, Marcel; Rateb, Mostafa

Citation: Elsayed, Somayah; Trusch, Franziska; Deng, Hai; Raab, Andrea; Prokes, Ivan; Busarakam, Kanungnid; Asenjo, Juan; Andrews, Barbara; van West, Pieter; Bull, Alan; Goodfellow, Micheael; Yi, Yu; Ebel, Rainer; Jaspars, Marcel; Rateb, Mostafa. "Chaxapeptin, a lasso peptide from the extremotolerant Streptomyces leeuwenhokii strain C58 from the hyper-arid Atacama Desert"  J. Org. Chem. 80, 10252-10260 (2015).

Assembly members:
chaxapeptin, polymer, 15 residues, 1633.839 Da.

Natural source:   Common Name: high GC Gram+   Taxonomy ID: 1437453   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces leeuwenhokii

Experimental source:   Production method: purified from the natural source   Host organism: Streptomyces leeuwenhokii

Entity Sequences (FASTA):
chaxapeptin: GFGSKPLDSFGLNFF

Data sets:
Data typeCount
13C chemical shifts79
15N chemical shifts16
1H chemical shifts107

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 15 residues - 1633.839 Da.

1   GLYPHEGLYSERLYSPROLEUASPSERPHE
2   GLYLEUASNPHEPHE

Samples:

chaxapeptin: chaxapeptin 4 mM; DMSO mM

conditions_chaxapeptin: pressure: 1013 bar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hchaxapeptinisotropicconditions_chaxapeptin
1D 13Cchaxapeptinisotropicconditions_chaxapeptin
1D DEPTQchaxapeptinisotropicconditions_chaxapeptin
2D 1H-15N HSQCchaxapeptinisotropicconditions_chaxapeptin
2D 1H-1H COSYchaxapeptinisotropicconditions_chaxapeptin
2D 1H-1H TOCSYchaxapeptinisotropicconditions_chaxapeptin
2D HMBCchaxapeptinisotropicconditions_chaxapeptin
2D 1H-1H NOESYchaxapeptinisotropicconditions_chaxapeptin
3D 1H-15N TOCSYchaxapeptinisotropicconditions_chaxapeptin

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

WhatIF v11.12.31, Vriend - geometry optimization, refinement

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Varian VNMRS 600 MHz

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