BMRB Entry 26894

Name: Backbone resonance assignments of monomeric SOD1 in crowded environment
Published: 2016-10-14

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26894

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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: Backbone resonance assignments of monomeric SOD1 in crowded environment PubMed: 28025808

Deposition date: 2016-09-13 Original release date: 2016-10-14

Authors: Iwakawa, Naoto; Morimoto, Daichi

Citation: Iwakawa, Naoto; Morimoto, Daichi; Walinda, Erik; Sugase, Kenji; Shirakawa, Masahiro. "Backbone resonance assignments of monomeric SOD1 in dilute and crowded environments" Biomol. NMR Assign. 11, 81-84 (2017).

Assembly members:
monomeric_SOD1_H46W, polymer, 110 residues, Formula weight is not available

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
monomeric_SOD1_H46W: ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFWVHGAGGDLGNVTAD KDGVADVSIEDSVISLSGDH SIIGRTLVVHEKAGAGAGSR LASGVIGIAQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	310
15N chemical shifts	107
1H chemical shifts	107

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SOD1	1

Entities:

Entity 1, SOD1 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	TRP	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: monomeric SOD1 H46W, [U-100% 13C; U-100% 15N], 1.0 mM; Bis-Tris 10 mM; lysozyme 50 mg/mL

sample_conditions_1: pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - collection

NMR spectrometers:

Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts

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	TRP	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	TRP	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	TRP	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