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BMRB: 15713

2XJK

Backbone chemical shift assignements for monomeric apoSOD1 - variant G85R

Authors

Teilum, K., Akke, M.

Assembly

SOD1

Entity

1. SOD1 (polymer, Thiol state: all disulfide bound), 153 monomers, 15893.37 Da Detail

ATKAVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEE EDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLRNVTAD KDGVADVSIE DSVISLSGDH AIIGRTLVVH EKADDLGKGG NEESTKTGNA GSRLACGVIG IAQ

Formula weight

15893.37 Da

Entity Connection

disulfide 1 Detail

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: 94.8 %, Completeness: 43.1 %, Completeness (bb): 73.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.1 % (702 of 1627)	20.2 % (169 of 838)	64.0 % (403 of 630)	81.8 % (130 of 159)
Backbone	73.5 % (667 of 908)	43.5 % (141 of 324)	90.8 % (396 of 436)	87.8 % (130 of 148)
Sidechain	17.7 % (150 of 849)	5.4 % (28 of 514)	37.7 % (122 of 324)	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	14.9 % (25 of 168)	8.3 % (7 of 84)	21.4 % (18 of 84)

1. SOD1

ATKAVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEE EDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLRNVTAD 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	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 %

LACS Plot; CA

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.33 ppm, Outliers: 1 Detail

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

Entries sharing articles BMRB: 3 entries Detail

  BMRB: 15711 released on 2009-09-30
    Title Backbone chemical shift assignements for monomeric apoSOD1
  BMRB: 15712 released on 2009-09-30
    Title Backbone chemical shift assignements for monomeric apoSOD1 - variant A4V
  BMRB: 15714 released on 2009-09-30
    Title Backbone chemical shift assignements for monomeric apoSOD1 - variant D90A

Related entities 1. SOD1, : 1 : 81 : 167 entities Detail

Interaction partners 1. SOD1, : 26 interactors Detail

More details for 26 interactors identified by 11 citations

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15713_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:57:CYS:SG	1:146:CYS:SG	oxidized, CA 55.949, CB 41.04 ppm	oxidized, CA 54.968, CB 44.921 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr15713_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	646		93.5 (chain: 1, length: 153)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 153, Sequence coverage: 93.5%
- Total number of assignments
  - ¹³C chemical shifts: 392
  - ¹H chemical shifts: 127
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	630	392	62.2
¹H chemical shifts	838	127	15.2
¹⁵N chemical shifts	164	127	77.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	306	278	90.8
¹H chemical shifts	324	127	39.2
¹⁵N chemical shifts	148	127	85.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	324	114	35.2
¹H chemical shifts	514	0	0.0
¹⁵N chemical shifts	16	0	0.0

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Found 1 Document (0.772 seconds)

BMRB: 15713

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. SOD1, : 1 : 81 : 167 entities Detail

Interaction partners 1. SOD1, : 26 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 3 contents Detail