BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	50.6 % (679 of 1343)	43.3 % (299 of 690)	49.5 % (260 of 525)	93.8 % (120 of 128)
Backbone	83.9 % (621 of 740)	96.2 % (253 of 263)	70.3 % (251 of 357)	97.5 % (117 of 120)
Sidechain	23.1 % (164 of 710)	10.8 % (46 of 427)	41.8 % (115 of 275)	37.5 % (3 of 8)
Aromatic	6.0 % (5 of 84)	11.9 % (5 of 42)	0.0 % (0 of 41)	0.0 % (0 of 1)
Methyl	18.7 % (25 of 134)	17.9 % (12 of 67)	19.4 % (13 of 67)

1. L126Z-sod1

ATKAVCVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEF GDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLGNVTAD KDGVADVSIE DSVISLSGDH CIIGRTLVVH EKADD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313 K, pH 4

#	Name	Isotope labeling	Concentration
1	L126Z-sod1	[U-100% 13C; U-100% 15N]	400 uM
2	dodecylphosphocholine (DPC)	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	[U-100% 2H]	10 %

LACS Plot; CA

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

Referencing offset: -0.13 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.13 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 5 models in PDB: 2MP3, Strand ID: A Detail

Release date

2015-05-17

Citation

Mechanism for transforming cytosolic SOD1 into integral membrane proteins of organelles by ALS-causing mutations
Lim, L., Lee, X., Song, J.
Biochim. Biophys. Acta (2015), 1848, 1-7, PubMed 25306968 , DOI 10.1016/j.bbamem.2014.10.002 , Abstract

Related entities 1. Truncated L126Z-sod1, : 1 : 37 : 3 : 60 : 151 entities Detail

Interaction partners 1. Truncated L126Z-sod1, : 26 interactors Detail

More details for 26 interactors identified by 11 citations

Experiments performed 4 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19962_2mp3.nef
Input source #2: Coordindates	2mp3.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

---------------10--------20--------30--------40--------50--------60--------70--------80--------90---
GHHHHHHATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GHHHHHHATKAVCVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEFGDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDG
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

----100-------110-------120-----
VADVSIEDSVISLSGDHCIIGRTLVVHEKADD
||||||||||||||||||||||||||||||||
VADVSIEDSVISLSGDHCIIGRTLVVHEKADD
-------110-------120-------130--

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	132	0	0	100.0

Content subtype: combined_19962_2mp3.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	599		93.9 (chain: A, length: 132)
1	Distance restraints	DYANA/DIANA_distance_constraints_3	OK	875 (1)	noe	90.9 (chain: A, length: 132)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	106 (106)	.	54.5 (chain: A, length: 132)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 93.9%
- Total number of assignments
  - ¹H chemical shifts: 252
  - ¹³C chemical shifts: 230
  - ¹⁵N chemical shifts: 117
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	729	252	34.6
¹³C chemical shifts	557	230	41.3
¹⁵N chemical shifts	138	117	84.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	278	252	90.6
¹³C chemical shifts	264	124	47.0
¹⁵N chemical shifts	127	117	92.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	451	0	0.0
¹³C chemical shifts	293	106	36.2
¹⁵N chemical shifts	11	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	67	0	0.0
¹³C chemical shifts	67	7	10.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	54	0	0.0
¹³C chemical shifts	53	0	0.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 90.9%
- Total number of restraints: 875
- Weight of restraints: 1.0 (875)
- Potential type of restraints: upper-bound-parabolic (875)
- Range of distance target values: 2.8, 6.0 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 54.5%
- Total number of restraints: 106
- Total number of restraints per polymer type: 106
- Weight of restraints: 1.0 (106)
- Potential type of restraints: square-well-parabolic (106)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DPC micelle, L126Z-Sod1 mutant, truncated

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Found 1 Document (1.543 seconds)

BMRB: 19962

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Truncated L126Z-sod1, : 1 : 37 : 3 : 60 : 151 entities Detail

Interaction partners 1. Truncated L126Z-sod1, : 26 interactors Detail

Experiments performed 4 experiments Detail

Instrument

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Instrument

Sample

Instrument

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Instrument

Sample

NMR combined restraints 4 contents Detail