BMRBj - BMREntryMaster

Found 1 Document (0.974 seconds)

BMRB: 15714

2XJK

Backbone chemical shift assignements for monomeric apoSOD1 - variant D90A

Authors

Teilum, K., Akke, M.

Assembly

SOD1

Entity

1. SOD1 (polymer, Thiol state: all disulfide bound), 153 monomers, 15750.22 × 2 Da Detail

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

Total weight

31500.44 Da

Max. entity weight

15750.22 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS57:SG	1:CYS146:SG
2	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: 97.4 %, Completeness: 31.9 %, Completeness (bb): 51.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	31.9 % (516 of 1617)	23.2 % (193 of 831)	28.7 % (180 of 627)	89.9 % (143 of 159)
Backbone	51.4 % (467 of 908)	47.7 % (155 of 325)	38.9 % (169 of 435)	96.6 % (143 of 148)
Sidechain	7.4 % (62 of 838)	7.5 % (38 of 506)	7.5 % (24 of 321)	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	11.8 % (20 of 170)	12.9 % (11 of 85)	10.6 % (9 of 85)

1. SOD1

ATKAVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEE EDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLGNVTAA 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 %

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: 15713 released on 2009-09-30
    Title Backbone chemical shift assignements for monomeric apoSOD1 - variant G85R

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 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15714_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	Warning

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	unknown, CA 55.835 ppm	unknown, CA 54.926 ppm	n/a
2:57:CYS:SG	2:146:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr15714_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	446		96.7 (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: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 153, Sequence coverage: 96.7%
- Total number of assignments
  - ¹³C chemical shifts: 154
  - ¹H chemical shifts: 146
  - ¹⁵N chemical shifts: 146
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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	627	148	23.6
¹H chemical shifts	831	141	17.0
¹⁵N chemical shifts	163	141	86.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	306	148	48.4
¹H chemical shifts	325	141	43.4
¹⁵N chemical shifts	148	141	95.3

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Found 1 Document (0.974 seconds)

BMRB: 15714

Sample

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 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail