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BMRB: 6393

1O7C

Refined solution structure of the human TSG-6 Link module

Authors

Blundell, C.D., Teriete, P., Kahmann, J.D., Pickford, A.R., Campbell, I.D.

Assembly

human TSG-6

Entity

1. human TSG-6 (polymer, Thiol state: all disulfide bound), 98 monomers, 10926.41 Da Detail

GVYHREARSG KYKLTYAEAK AVCEFEGGHL ATYKQLEAAR KIGFHVCAAG WMAKGRVGYP IVKPGPNCGF GKTGIIDYGI RLNRSERWDA YCYNPHAK

2. HA octasaccharide (polymer, Thiol state: not present), 8 monomers, 1956.173 Da

Total weight

12882.583 Da

Max. entity weight

10926.41 Da

Entity Connection

disulfide 2, covalent 7 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS23:SG	1:CYS92:SG
2	disulfide	sing	1:CYS47:SG	1:CYS68:SG
3	covalent	sing	2:BNA1:C1	2:BGC2:O3
4	covalent	sing	2:BGC2:C1	2:BNA3:O4
5	covalent	sing	2:BNA3:C1	2:BGC4:O3
6	covalent	sing	2:BGC4:C1	2:BNA5:O4
7	covalent	sing	2:BNA5:C1	2:BGC6:O3
8	covalent	sing	2:BGC6:C1	2:BNA7:O4
9	covalent	sing	2:BNA7:C1	2:BGC8:O3

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

AB INITIO SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 95.1 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L) polysaccharide(D)

	Total	¹H	¹³C	¹⁵N
All	95.1 % (1080 of 1136)	96.6 % (572 of 592)	92.6 % (411 of 444)	97.0 % (97 of 100)
Backbone	96.6 % (560 of 580)	97.6 % (200 of 205)	95.7 % (269 of 281)	96.8 % (91 of 94)
Sidechain	93.9 % (602 of 641)	96.1 % (372 of 387)	90.3 % (224 of 248)	100.0 % (6 of 6)
Aromatic	86.6 % (116 of 134)	95.5 % (64 of 67)	76.9 % (50 of 65)	100.0 % (2 of 2)
Methyl	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (43 of 43)

1. human TSG-6

GVYHREARSG KYKLTYAEAK AVCEFEGGHL ATYKQLEAAR KIGFHVCAAG WMAKGRVGYP IVKPGPNCGF GKTGIIDYGI RLNRSERWDA YCYNPHAK

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Concentration
1	human TSG-6	1.0 mM
2	HA octasaccharide	1.0 mM
3	Na ions	2 mM
4	D2O	100 %

Sample #2

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
5	human TSG-6	[U-15N]	2.0 mM
6	HA octasaccharide		1.0 mM
7	Na ions		2 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
8	human TSG-6	[U-15N; U-13C]	2.8 mM
9	HA octasaccharide		1.0 mM
10	Na ions		2 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.31 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.31 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.05 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1O7C, Strand ID: T Detail

Release date

2005-04-11

Citation

Towards a structure for a TSG-6.hyaluronan complex by modeling and NMR spectroscopy: insights into other members of the link module superfamily
Blundell, C.D., Almond, A., Mahoney, D.J., Deangelis, P.L., Campbell, I.D., Day, A.J.
J. Biol. Chem. (2005), 280, 18189-18201, PubMed 15718240 , DOI 10.1074/jbc.M414343200 , Abstract

Related entities 1. human TSG-6, : 1 : 5 : 1 : 225 entities Detail

Interaction partners 1. human TSG-6, : 26 interactors Detail

More details for 26 interactors identified by 5 citations

Experiments performed 4 experiments Detail

1 15N-NOESY-HSQC

Instrument

#1 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 600MHz.

#2 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 750MHz.

Sample #1

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Concentration
1	human TSG-6	1.0 mM
2	HA octasaccharide	1.0 mM
3	Na ions	2 mM
4	D2O	100 %

Sample #2

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
5	human TSG-6	[U-15N]	2.0 mM
6	HA octasaccharide		1.0 mM
7	Na ions		2 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
8	human TSG-6	[U-15N; U-13C]	2.8 mM
9	HA octasaccharide		1.0 mM
10	Na ions		2 mM

2 15N-HSQC-NOESY-HSQC

Instrument

#1 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 600MHz.

#2 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 750MHz.

Sample #1

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Concentration
1	human TSG-6	1.0 mM
2	HA octasaccharide	1.0 mM
3	Na ions	2 mM
4	D2O	100 %

Sample #2

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
5	human TSG-6	[U-15N]	2.0 mM
6	HA octasaccharide		1.0 mM
7	Na ions		2 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
8	human TSG-6	[U-15N; U-13C]	2.8 mM
9	HA octasaccharide		1.0 mM
10	Na ions		2 mM

3 13C-NOESY-HSQC

Instrument

#1 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 600MHz.

#2 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 750MHz.

Sample #1

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Concentration
1	human TSG-6	1.0 mM
2	HA octasaccharide	1.0 mM
3	Na ions	2 mM
4	D2O	100 %

Sample #2

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
5	human TSG-6	[U-15N]	2.0 mM
6	HA octasaccharide		1.0 mM
7	Na ions		2 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
8	human TSG-6	[U-15N; U-13C]	2.8 mM
9	HA octasaccharide		1.0 mM
10	Na ions		2 mM

4 2D-NOESY

Instrument

#1 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 600MHz.

#2 Model na n/a (750 MHz) Details Homebuilt Spectrometer incorporating Oxford Instruments Magnet, 750MHz.

Sample #1

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Concentration
1	human TSG-6	1.0 mM
2	HA octasaccharide	1.0 mM
3	Na ions	2 mM
4	D2O	100 %

Sample #2

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
5	human TSG-6	[U-15N]	2.0 mM
6	HA octasaccharide		1.0 mM
7	Na ions		2 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
8	human TSG-6	[U-15N; U-13C]	2.8 mM
9	HA octasaccharide		1.0 mM
10	Na ions		2 mM

nullKeywords hyaluronan-binding domain, carbohydrate-binding domain, Link module

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Found 1 Document (1.834 seconds)

BMRB: 6393

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. human TSG-6, : 1 : 5 : 1 : 225 entities Detail

Interaction partners 1. human TSG-6, : 26 interactors Detail

Experiments performed 4 experiments Detail

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