BMRB Entry 25663
Click here to enlarge.
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/BMR25663
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 358 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 663 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Link-TSG-6 | 1 |
Entities:
Entity 1, Link-TSG-6 98 residues - 10946.665 Da.
number begins from 1 (36-133 in whole sequence of TSG-6)
| 1 | GLY | VAL | TYR | HIS | ARG | GLU | ALA | ARG | SER | GLY | ||||
| 2 | LYS | TYR | LYS | LEU | THR | TYR | ALA | GLU | ALA | LYS | ||||
| 3 | ALA | VAL | CYS | GLU | PHE | GLU | GLY | GLY | HIS | LEU | ||||
| 4 | ALA | THR | TYR | LYS | GLN | LEU | GLU | ALA | ALA | ARG | ||||
| 5 | LYS | ILE | GLY | PHE | HIS | VAL | CYS | ALA | ALA | GLY | ||||
| 6 | TRP | MET | ALA | LYS | GLY | ARG | VAL | GLY | TYR | PRO | ||||
| 7 | ILE | VAL | LYS | PRO | GLY | PRO | ASN | CYS | GLY | PHE | ||||
| 8 | GLY | LYS | THR | GLY | ILE | ILE | ASP | TYR | GLY | ILE | ||||
| 9 | ARG | LEU | ASN | ARG | SER | GLU | ARG | TRP | ASP | ALA | ||||
| 10 | TYR | CYS | TYR | ASN | PRO | HIS | ALA | LYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 3D HNCO | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 3D HNCACB | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 13C-15N_Link-TSG-6 | isotropic | sample_conditions_1 |
| 2D IPAP HSQC | 13C-15N_LinkTSG-6_RDC | isotropic | sample_conditions_1 |
| 2D IPAP HSQC | 13C-15N_LinkTSG-6_RDC | anisotropic | sample_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