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 30505

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30505

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Title: Solution NMR Structure of a Class I Hydrophobin from Wallemia ichthyophaga

Deposition date: 2018-08-01 Original release date: 2019-08-02

Authors: Kenward, C.; Langelaan, D.

Citation: Kenward, C.; Langelaan, D.. "Solution NMR Structure of a Class I Hydrophobin from Wallemia ichthyophaga"  . ., .-..

Assembly members:
entity_1, polymer, 90 residues, 9444.642 Da.

Natural source:   Common Name: Wallemia ichthyophaga   Taxonomy ID: 1299270   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Wallemia ichthyophaga

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli DH1

Entity Sequences (FASTA):
entity_1: GSGWESKTGSCNTGKLACCD TNKKVQKSTGEESGLLHTGD VLDQVAIQCTQIPLLIGIAI EDECKNTPTCCEDVEDDGLV GINCTPIPLI

Data sets:
Data typeCount
13C chemical shifts365
15N chemical shifts88
1H chemical shifts560

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 90 residues - 9444.642 Da.

1   GLYSERGLYTRPGLUSERLYSTHRGLYSER
2   CYSASNTHRGLYLYSLEUALACYSCYSASP
3   THRASNLYSLYSVALGLNLYSSERTHRGLY
4   GLUGLUSERGLYLEULEUHISTHRGLYASP
5   VALLEUASPGLNVALALAILEGLNCYSTHR
6   GLNILEPROLEULEUILEGLYILEALAILE
7   GLUASPGLUCYSLYSASNTHRPROTHRCYS
8   CYSGLUASPVALGLUASPASPGLYLEUVAL
9   GLYILEASNCYSTHRPROILEPROLEUILE

Samples:

sample_1: WI1, [U-13C; U-15N], 250 uM; MES 20 mM; sodium chloride 50 mM

sample_2: WI1, [U-13C; U-15N], 100 uM; MES 20 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 303.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

ARIA v2.3.1, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Analysis, CCPN - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker AvanceIII 800 MHz
  • Bruker AvanceIII 700 MHz

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