BMRB Entry 11462

Name: One-disulfide variant of hen lysozyme: 1SS[76-94]
Published: 2013-04-04

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11462

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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:

One-disulfide variant of hen lysozyme: 1SS[76-94]

Deposition date:

2011-12-04

Original release date:

2013-04-04

Authors:

Noda, Yasuo; Narama, Kuniaki; Kasai, Kenichi; Murakami, Shusaku; Tachibana, Hideki; Segawa, Shin-ichi

Citation:

Citation: Noda, Yasuo; Narama, Kuniaki; Kasai, Kenichi; Tachibana, Hideki; Segawa, Shin-Ichi. "Glycerol-enhanced detection of a preferential structure latent in unstructured 1SS-variants of lysozyme." Biopolymers 97, 539-549 (2012).
PubMed: 22344587

Assembly members:

Assembly members:
1SS[76-94], polymer, 130 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: pYK1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
1SS[76-94]: MKVFGRSELAAAMKRHGLDN YRGYSLGNWVAAAKFESNFN TQATNRNTDGSTDYGILQIN SRWWANDGRTPGSRNLCNIP ASALLSSDITASVNCAKKIV SDGNGMNAWVAWRNRAKGTD VQAWIRGARL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	117
1H chemical shifts	117

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	1SS[76-94]	1

Entities:

Entity 1, 1SS[76-94] 130 residues - Formula weight is not available

This sample sequence have Met containing the N-terminal residue, because it is produced in Escherichia coli.

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

Samples:

sample_1: 1SS[76-94], [U-99% 15N], 1 mM; dichloroacetic acid, [U-2H], 60 mM; DMSO-d6, [U-2H], 95%; H2O 5%

sample_conditions_1: pH*: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N HSQC-NOESY-HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection, processing

SPARKY v3.114, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker DRX 600 MHz

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

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