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BMRB Entry 18480

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18480
MolProbity Validation Chart

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Title: NMR structure of major ampullate spidroin 1 N-terminal domain at pH 5.5   PubMed: 24510122

Deposition date: 2012-05-25 Original release date: 2013-11-26

Authors: Otikovs, Martins; Jaudzems, Kristaps; Nordling, Kerstin; Landreh, Michael; Rising, Anna; Askarieh, Glareh; Knight, Stefan; Johansson, Jan

Citation: Kronqvist, Nina; Otikovs, Martins; Chmyrov, Volodymyr; Chen, Gefei; Andersson, Marlene; Nordling, Kerstin; Landreh, Michael; Sarr, Medoune; Jornvall, Hans; Wennmalm, Stefan; Widengren, Jerker; Meng, Qing; Rising, Anna; Otzen, Daniel; Knight, Stefan; Jaudzems, Kristaps; Johansson, Jan. "Sequential pH-driven dimerization and stabilization of the N-terminal domain enables rapid spider silk formation."  Nat. Commun. 5, 3254-3254 (2014).

Assembly members:
Major_ampullate_spidroin_1, polymer, 137 residues, 14183.802 Da.

Natural source:   Common Name: spider   Taxonomy ID: 332052   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Euprosthenops australis

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

Entity Sequences (FASTA):
Major_ampullate_spidroin_1: GSGNSHTTPWTNPGLAENFM NSFMQGLSSMPGFTASQLDD MSTIAQSMVQSIQSLAAQGR TSPNKLQALNMAFASSMAEI AASEEGGGSLSTKTSSIASA MSNAFLQTTGVVNQPFINEI TQLVSMFAQAGMNDVSA

Data sets:
Data typeCount
13C chemical shifts537
15N chemical shifts152
1H chemical shifts893

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_21

Entities:

Entity 1, entity_1 137 residues - 14183.802 Da.

1   GLYSERGLYASNSERHISTHRTHRPROTRP
2   THRASNPROGLYLEUALAGLUASNPHEMET
3   ASNSERPHEMETGLNGLYLEUSERSERMET
4   PROGLYPHETHRALASERGLNLEUASPASP
5   METSERTHRILEALAGLNSERMETVALGLN
6   SERILEGLNSERLEUALAALAGLNGLYARG
7   THRSERPROASNLYSLEUGLNALALEUASN
8   METALAPHEALASERSERMETALAGLUILE
9   ALAALASERGLUGLUGLYGLYGLYSERLEU
10   SERTHRLYSTHRSERSERILEALASERALA
11   METSERASNALAPHELEUGLNTHRTHRGLY
12   VALVALASNGLNPROPHEILEASNGLUILE
13   THRGLNLEUVALSERMETPHEALAGLNALA
14   GLYMETASNASPVALSERALA

Samples:

sample_1: Major ampullate spidroin 1, [U-99% 13C; U-99% 15N], 1.5 mM; D2O, [U-100% 2H], 5%; sodium azide 0.03%; sodium acetate 20 mM; sodium chloride 20 mM; H2O 95%

sample_conditions_1: ionic strength: 0.04 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

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

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

VNMRJ v2.1b, Varian - collection

CARA v1.9.0, Keller and Wuthrich - chemical shift assignment

TOPSPIN, Bruker Biospin - processing

UNIO v2.0.2, T. Herrmann, F. Fiorito, J. Volk - data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 18261 18262
PDB
EMBL CAJ90517

Download simulated HSQC data in one of the following formats:
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