BMRB: 15712

Backbone chemical shift assignements for monomeric apoSOD1 - variant A4V

Authors

Teilum, K., Akke, M.

Assembly

SOD1

Entity

1. SOD1 (polymer, Thiol state: all disulfide bound), 153 monomers, 15822.29 Da Detail

ATKVVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEE EDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLGNVTAD KDGVADVSIE DSVISLSGDH AIIGRTLVVH EKADDLGKGG NEESTKTGNA GSRLACGVIG IAQ

Formula weight

15822.29 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS57:SG	1:CYS146:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 46.5 %, Completeness (bb): 75.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	46.5 % (755 of 1622)	24.5 % (204 of 834)	66.5 % (418 of 629)	83.6 % (133 of 159)
Backbone	75.9 % (689 of 908)	47.1 % (153 of 325)	92.6 % (403 of 435)	89.9 % (133 of 148)
Sidechain	21.7 % (183 of 843)	10.2 % (52 of 509)	40.6 % (131 of 323)	0.0 % (0 of 11)
Aromatic	0.0 % (0 of 74)	0.0 % (0 of 37)	0.0 % (0 of 36)	0.0 % (0 of 1)
Methyl	15.9 % (27 of 170)	12.9 % (11 of 85)	18.8 % (16 of 85)

1. SOD1

ATKVVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEE EDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLGNVTAD KDGVADVSIE DSVISLSGDH AIIGRTLVVH EKADDLGKGG NEESTKTGNA GSRLACGVIG IAQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	SOD1	[U-100% 13C; U-100% 15N]		1 mM
2	MES	natural abundance		10 mM
3	EDTA	natural abundance		1 mM
4	D2O	natural abundance		10 %

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LACS Plot; CA

Referencing offset: -0.18 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	4.773 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.18 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	4.773 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.31 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	water	protons	4.773 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Release date

2009-09-30

Citation

Transient structural distortion of metal-free Cu/Zn superoxide dismutase triggers aberrant oligomerization
Teilum, K., Smith, M.H., Schulz, E., Christensen, L.C., Solomentsev, G., Oliveberg, M., Akke, M.
Proc. Natl. Acad. Sci. U. S. A. (2009), 106, 18273-18278, PubMed 19828437 , DOI 10.1073/pnas.0907387106 , Abstract

Related entities 1. SOD1, : 1 : 81 : 166 entities Detail

Interaction partners 1. SOD1, : 26 interactors Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail