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 27460

Title: chemical shift assignnment of recombinant repetitive domain of spider dragline silk   PubMed: 29844575

Deposition date: 2018-04-23 Original release date: 2018-04-27

Authors: Oktaviani, Nur; Matsugami, Akimasa; Malay, Ali; Hayashi, Fumiaki; Kaplan, David; Numata, Keiji

Citation: Oktaviani, Nur; Matsugami, Akimasa; Malay, Ali; Hayashi, Fumiaki; Kaplan, David; Numata, Keiji. "Conformation and dynamics of soluble repetitive domain elucidates the initial beta-sheet formation of spider silk"  Nat. Commun. 9, 2121-2121 (2018).

Assembly members:
repetitive_domain_spider_dragline_silk, polymer, 82 residues, Formula weight is not available

Natural source:   Common Name: spider   Taxonomy ID: 6915   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Nephila clavipes

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

Entity Sequences (FASTA):
repetitive_domain_spider_dragline_silk: MHHHHHHSSGLVPRGSGMKE TAAAKFERQHMDSPDLGTDD DDKAMAASGRGGLGGQGAGA AAAAGGAGQGGYGGLGSQGT SG

Data typeCount
13C chemical shifts860
15N chemical shifts309
1H chemical shifts1166

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1repetitive domain spider dragline silk monomer1
2repetitive domain spider dragline silk dimer1
3repetitive domain spider dragline silk trimer1
4repetitive domain spider dragline silk hexamer1
5repetitive domain spider dragline silk 15-mer1

Entities:

Entity 1, repetitive domain spider dragline silk monomer 82 residues - Formula weight is not available

1   METHISHISHISHISHISHISSERSERGLY
2   LEUVALPROARGGLYSERGLYMETLYSGLU
3   THRALAALAALALYSPHEGLUARGGLNHIS
4   METASPSERPROASPLEUGLYTHRASPASP
5   ASPASPLYSALAMETALAALASERGLYARG
6   GLYGLYLEUGLYGLYGLNGLYALAGLYALA
7   ALAALAALAALAGLYGLYALAGLYGLNGLY
8   GLYTYRGLYGLYLEUGLYSERGLNGLYTHR
9   SERGLY

Samples:

sample_1: repetitive domain spider dragline silk, [U-100% 13C; U-100% 15N], 1.85 mM; sodium phosphate 10 mM; D2O, [U-100% 2H], 10%; DSS 0.1 mM

sample_conditions_1: ionic strength: 10 mM; pH: 7; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D (H)C(CO)NHsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 700 MHz
  • JEOL ECA 600 MHz

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