BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19340

Title: Untangling the Solution Structure of C-Terminal Domain of AciniformSpidroin   PubMed: 24422432

Deposition date: 2013-07-09 Original release date: 2014-02-13

Authors: Wang, Shujing; Yang, Daiwen

Citation: Wang, Shujing; Huang, Weidong; Yang, Daiwen. "Structure and function of C-terminal domain of aciniform spidroin."  Biomacromolecules 15, 468-477 (2014).

Assembly members:
entity, polymer, 109 residues, 10887.300 Da.

Natural source:   Common Name: Batik golden web spider   Taxonomy ID: 171624   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Nephila Antipodiana

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

Entity Sequences (FASTA):
entity: PSFGLVLNSPNGLRSPQAKA RINNLASALSTAVGRNGVDV NAFTSGLRATLSNLGDSGMS PNEAKVEVLLEALTAALQLL SSSTLGAVDTTSIGLTSNSV SKAVAQALA

Data sets:
Data typeCount
13C chemical shifts330
15N chemical shifts121
1H chemical shifts737

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_21

Entities:

Entity 1, entity_1 109 residues - 10887.300 Da.

1   PROSERPHEGLYLEUVALLEUASNSERPRO
2   ASNGLYLEUARGSERPROGLNALALYSALA
3   ARGILEASNASNLEUALASERALALEUSER
4   THRALAVALGLYARGASNGLYVALASPVAL
5   ASNALAPHETHRSERGLYLEUARGALATHR
6   LEUSERASNLEUGLYASPSERGLYMETSER
7   PROASNGLUALALYSVALGLUVALLEULEU
8   GLUALALEUTHRALAALALEUGLNLEULEU
9   SERSERSERTHRLEUGLYALAVALASPTHR
10   THRSERILEGLYLEUTHRSERASNSERVAL
11   SERLYSALAVALALAGLNALALEUALA

Samples:

sample_1: CTDtrQA, [U-100% 13C; U-100% 15N], 2 mM; sodium phosphate 10 mM; sodium azide 0.01%; D2O 5%; H2O 95%

sample_2: CTDtrQA 1 mM; CTDtrQA, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 10 mM; D2O 5%; H2O 95%

sample_conditions_1: ionic strength: 10 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D MQ-(H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 13C,15N-filtered NOESYsample_2isotropicsample_conditions_1
4D NOESYsample_1isotropicsample_conditions_1

Software:

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

TALOS, Cornilescu, Delaglio and Bax - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMRspy, Xu, Yingqi; Zheng, Yu; Fan, Jing-song; Yang, Daiwen. - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB

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