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 25663

Title: SOLUTION STRUCTURE OF THE LINK MODULE OF HUMAN TSG-6 IN PRESENCE OF A CHONDROITIN 4-SULFATE HEXASACCHARIDE   PubMed: 26685054

Deposition date: 2015-06-23 Original release date: 2016-01-11

Authors: Park, Younghee; Prestegard, James

Citation: Park, Younghee; Jowitt, Thomas; Day, Anthony; Prestegard, James. "NMR insight into the multiple glycosaminoglycan binding modes of the Link module from human TSG-6"  Biochemistry 55, 262-276 (2016).

Assembly members:
Link-TSG-6, polymer, 98 residues, 10946.665 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
Link-TSG-6: GVYHREARSGKYKLTYAEAK AVCEFEGGHLATYKQLEAAR KIGFHVCAAGWMAKGRVGYP IVKPGPNCGFGKTGIIDYGI RLNRSERWDAYCYNPHAK

Data sets:
Data typeCount
13C chemical shifts358
15N chemical shifts93
1H chemical shifts663

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Link-TSG-61

Entities:

Entity 1, Link-TSG-6 98 residues - 10946.665 Da.

number begins from 1 (36-133 in whole sequence of TSG-6)

1   GLYVALTYRHISARGGLUALAARGSERGLY
2   LYSTYRLYSLEUTHRTYRALAGLUALALYS
3   ALAVALCYSGLUPHEGLUGLYGLYHISLEU
4   ALATHRTYRLYSGLNLEUGLUALAALAARG
5   LYSILEGLYPHEHISVALCYSALAALAGLY
6   TRPMETALALYSGLYARGVALGLYTYRPRO
7   ILEVALLYSPROGLYPROASNCYSGLYPHE
8   GLYLYSTHRGLYILEILEASPTYRGLYILE
9   ARGLEUASNARGSERGLUARGTRPASPALA
10   TYRCYSTYRASNPROHISALALYS

Samples:

13C-15N_Link-TSG-6: MES 50 mM; NaN3 0.02%; Link-TSG-6, [U-100% 13C; U-100% 15N], 0.5 mM; CHONDROITIN 4-SULFATE HEXASACCHARIDE 0.6 mM

13C-15N_LinkTSG-6_RDC: MES 50 mM; NaN3 0.02%; Link-TSG-6, [U-100% 13C; U-100% 15N], 0.5 mM; CHONDROITIN 4-SULFATE HEXASACCHARIDE 1.0 mM

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC13C-15N_Link-TSG-6isotropicsample_conditions_1
3D CBCA(CO)NH13C-15N_Link-TSG-6isotropicsample_conditions_1
3D HNCO13C-15N_Link-TSG-6isotropicsample_conditions_1
3D HNCACB13C-15N_Link-TSG-6isotropicsample_conditions_1
3D HCCH-TOCSY13C-15N_Link-TSG-6isotropicsample_conditions_1
3D 1H-15N NOESY13C-15N_Link-TSG-6isotropicsample_conditions_1
3D 1H-13C NOESY13C-15N_Link-TSG-6isotropicsample_conditions_1
2D IPAP HSQC13C-15N_LinkTSG-6_RDCisotropicsample_conditions_1
2D IPAP HSQC13C-15N_LinkTSG-6_RDCanisotropicsample_conditions_1

Software:

X-PLOR_NIH v2.8, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

SPARKY, Goddard - chemical shift assignment, peak picking

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

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

NMR spectrometers:

  • Varian/Agilent INOVA 600 MHz
  • Varian/Agilent INOVA 800 MHz
  • Varian/Agilent INOVA 900 MHz

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