BMRB Entry 19767

Name: Solid-state NMR assignment of metal-free SOD1 fibrillar structures
Published: 2014-06-05

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19767

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solid-state NMR assignment of metal-free SOD1 fibrillar structures

Deposition date:

2014-02-05

Original release date:

2014-06-05

Authors:

Banci, Lucia; Blazevits, Olga; Cantini, Francesca; Danielsson, Jens; Lang, Lisa; Luchinat, Claudio; Mao, Jiafei; Oliveberg, Mikael; Ravera, Enrico

Citation:

Citation: Banci, Lucia; Blaevit, Olga; Cantini, Francesca; Danielsson, Jens; Lang, Lisa; Luchinat, Claudio; Mao, Jiafei; Oliveberg, Mikael; Ravera, Enrico. "Solid-state NMR studies of metal-free SOD1 fibrillar structures." J. Biol. Inorg. Chem. 19, 659-666 (2014).
PubMed: 24719206

Assembly members:

Assembly members:
apoSOD1-DeltaIV-VII, polymer, 110 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
apoSOD1-DeltaIV-VII: ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFHVHGAGGDLGNVTAD KDGVADVSIEDSVISLSGDH SIIGRTLVVHEKAGAGAGSR LASGVIGIAQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	79
15N chemical shifts	28

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apoSOD1-DeltaIV-VII	1

Entities:

Entity 1, apoSOD1-DeltaIV-VII 110 residues - Formula weight is not available

1	ALA	THR	LYS	ALA	VAL	ALA	VAL	LEU	LYS	GLY
2	ASP	GLY	PRO	VAL	GLN	GLY	ILE	ILE	ASN	PHE
3	GLU	GLN	LYS	GLU	SER	ASN	GLY	PRO	VAL	LYS
4	VAL	TRP	GLY	SER	ILE	LYS	GLY	LEU	THR	GLU
5	GLY	LEU	HIS	GLY	PHE	HIS	VAL	HIS	GLY	ALA
6	GLY	GLY	ASP	LEU	GLY	ASN	VAL	THR	ALA	ASP
7	LYS	ASP	GLY	VAL	ALA	ASP	VAL	SER	ILE	GLU
8	ASP	SER	VAL	ILE	SER	LEU	SER	GLY	ASP	HIS
9	SER	ILE	ILE	GLY	ARG	THR	LEU	VAL	VAL	HIS
10	GLU	LYS	ALA	GLY	ALA	GLY	ALA	GLY	SER	ARG
11	LEU	ALA	SER	GLY	VAL	ILE	GLY	ILE	ALA	GLN

Samples:

sample_1: apoSOD1-DeltaIV-VII, [U-13C; U-15N], na na

sample_conditions_1: pH: 6.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DARR	sample_1	solid	sample_conditions_1
2D NCA	sample_1	solid	sample_conditions_1
2D NCO	sample_1	solid	sample_conditions_1
3D NCACX	sample_1	solid	sample_conditions_1
3D NCOCX	sample_1	solid	sample_conditions_1
1H-13C INEPT-HETCOR	sample_1	solid	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 850 MHz
Bruker Avance 700 MHz

1	ALA	THR	LYS	ALA	VAL	ALA	VAL	LEU	LYS	GLY
2	ASP	GLY	PRO	VAL	GLN	GLY	ILE	ILE	ASN	PHE
3	GLU	GLN	LYS	GLU	SER	ASN	GLY	PRO	VAL	LYS
4	VAL	TRP	GLY	SER	ILE	LYS	GLY	LEU	THR	GLU
5	GLY	LEU	HIS	GLY	PHE	HIS	VAL	HIS	GLY	ALA
6	GLY	GLY	ASP	LEU	GLY	ASN	VAL	THR	ALA	ASP
7	LYS	ASP	GLY	VAL	ALA	ASP	VAL	SER	ILE	GLU
8	ASP	SER	VAL	ILE	SER	LEU	SER	GLY	ASP	HIS
9	SER	ILE	ILE	GLY	ARG	THR	LEU	VAL	VAL	HIS
10	GLU	LYS	ALA	GLY	ALA	GLY	ALA	GLY	SER	ARG
11	LEU	ALA	SER	GLY	VAL	ILE	GLY	ILE	ALA	GLN

1	ALA	THR	LYS	ALA	VAL	ALA	VAL	LEU	LYS	GLY
2	ASP	GLY	PRO	VAL	GLN	GLY	ILE	ILE	ASN	PHE
3	GLU	GLN	LYS	GLU	SER	ASN	GLY	PRO	VAL	LYS
4	VAL	TRP	GLY	SER	ILE	LYS	GLY	LEU	THR	GLU
5	GLY	LEU	HIS	GLY	PHE	HIS	VAL	HIS	GLY	ALA
6	GLY	GLY	ASP	LEU	GLY	ASN	VAL	THR	ALA	ASP
7	LYS	ASP	GLY	VAL	ALA	ASP	VAL	SER	ILE	GLU
8	ASP	SER	VAL	ILE	SER	LEU	SER	GLY	ASP	HIS
9	SER	ILE	ILE	GLY	ARG	THR	LEU	VAL	VAL	HIS
10	GLU	LYS	ALA	GLY	ALA	GLY	ALA	GLY	SER	ARG
11	LEU	ALA	SER	GLY	VAL	ILE	GLY	ILE	ALA	GLN