BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25847

Title: three-dimensional structure of cyclic PVIIA   PubMed: 27093300

Authors: Kwon, Soohyun; Schroeder, Christina I.; Craik, David J.

Citation: Kwon, Soohyun; Bosmans, Frank; Kaas, Quentin; Cheneval, Olivier; Conibear, Anne; Schroeder, Christina; Craik, David. "Efficient enzymatic cyclization of an inhibitory cystine knot-containing peptide"  Biotechnol. Bioeng. 113, 2202-2212 (2016).

Assembly members:
entity, polymer, 34 residues, 3894.521 Da.

Natural source:   Common Name: Conus purpurascens   Taxonomy ID: 41690   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus purpurascens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: CRIXNQKCFQHLDDCCSRKC NRFNKCVLPETGGG

Data sets:
Data typeCount
13C chemical shifts93
15N chemical shifts41
1H chemical shifts226

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 34 residues - 3894.521 Da.

1   CYSARGILEHYPASNGLNLYSCYSPHEGLN
2   HISLEUASPASPCYSCYSSERARGLYSCYS
3   ASNARGPHEASNLYSCYSVALLEUPROGLU
4   THRGLYGLYGLY

Samples:

sample_1: entity 1 mM

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN, Bruker Biospin - collection

CCPN, CCPN - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz

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