BMRB Entry 4604

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4604
MolProbity Validation Chart

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Title:
NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES
Deposition date:
2000-05-05
Original release date:
2008-07-17
Authors:
Anders, R.; Ohlenschlager, O.; Soskic, V.; Wenschuh, H.; Heise, B.; Brown, L.
Citation:

Citation: Anders, R.; Ohlenschlager, O.; Soskic, V.; Wenschuh, H.; Heise, B.; Brown, L.. "The NMR solution structure of the ion channel peptaibol chrysospermin C bound to dodecylphosphocholine micelles"  Eur. J. Biochem. 267, 1784-1794 (2000).
PubMed: 10712611

Assembly members:

Assembly members:
CHRYSOSPERMIN C, polymer, 20 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Apiocrea chrysospermum   Taxonomy ID: 5131   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Hypomyces chrysospermus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CHRYSOSPERMIN C: XFXSXXLQGXXAAXPXXXQX

Data sets:
Data typeCount
1H chemical shifts105
13C chemical shifts75
15N chemical shifts3

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CHRYSOSPERMIN1

Entities:

Entity 1, CHRYSOSPERMIN 20 residues - Formula weight is not available

1   ACEPHEAIBSERAIBDIVLEUGLNGLYAIB
2   AIBALAALAAIBPROAIBAIBAIBGLNTPL

Samples:

sample_1: CHRYSOSPERMIN C 6.0 mM; DPC micelles 0.02 v/v; H2O 94%; D2O 6%

sample_2: CHRYSOSPERMIN C, [U-15N; U-13C]-AIB8, [U-15N; U-13C]-AIB9, [U-15N; U-13C]-AIB12, [U-13C]-AIB14(CB), [U-13C]-AIB15(CB), [U-13C]-AIB16(CB), 4.3 mM; DPC micelles 0.02 v/v; H2O 94%; D2O 6%

sample_cond_1: pH: 4.0; temperature: 318 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
not availablenot availablenot availablesample_cond_1

Software:

DYANA v1.5 - STRUCTURE SOLUTION

OPAL v2.6 - REFINEMENT

NMR spectrometers:

  • Varian Inova 600 MHz
  • Varian UnityPlus 600 MHz

Download HSQC peak lists in one of the following formats:
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SPARKY: Backbone or all simulated peaks