BMRB Entry 15198

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for all-Ala-HEWL
Published: 2007-04-19

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15198

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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 1H, 13C, and 15N Chemical Shift Assignments for all-Ala-HEWL

Deposition date:

2007-03-28

Original release date:

2007-04-19

Authors:

Schloerb, Christian; Ackermann, Katrin; Richter, Christian; Schwalbe, Harald

Citation:

Citation: Schloerb, Christian; Ackermann, Katrin; Richter, Christian; Wirmer, Julia; Schwalbe, Harald. "Heterologous expression of hen egg white lysozyme and resonance assignment of tryptophan side chains in its non-native states" J. Biomol. NMR 33, 95-104 (2005).
PubMed: 16258828

Assembly members:

Assembly members:
all-Ala-Hen_egg_white_lysoyzme, polymer, 130 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
all-Ala-Hen_egg_white_lysoyzme: MKVFGRAELAAAMKRHGLDN YRGYSLGNWVAAAKFESNFN TQATNRNTDGSTDYGILQIN SRWWANDGRTPGSRNLANIP ASALLSSDITASVNAAKKIV SDGNGMNAWVAWRNRAKGTD VQAWIRGARL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	363
15N chemical shifts	125
1H chemical shifts	427

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	all-Ala-hen egg white lysozyme	1

Entities:

Entity 1, all-Ala-hen egg white lysozyme 130 residues - Formula weight is not available

1	MET	LYS	VAL	PHE	GLY	ARG	ALA	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	ALA	ASN	ILE	PRO
9	ALA	SER	ALA	LEU	LEU	SER	SER	ASP	ILE	THR
10	ALA	SER	VAL	ASN	ALA	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: all-Ala-Hen egg white lysoyzme, [U-99% 13C; U-99% 15N], 0.5 mM

sample_conditions_1: ionic strength: 0 M; pH: 2.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	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 HCACO	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNN	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

CARA v1.5, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz
Bruker Avance 600 MHz
Bruker Avance 800 MHz

1	MET	LYS	VAL	PHE	GLY	ARG	ALA	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	ALA	ASN	ILE	PRO
9	ALA	SER	ALA	LEU	LEU	SER	SER	ASP	ILE	THR
10	ALA	SER	VAL	ASN	ALA	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	ALA	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	ALA	ASN	ILE	PRO
9	ALA	SER	ALA	LEU	LEU	SER	SER	ASP	ILE	THR
10	ALA	SER	VAL	ASN	ALA	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