BMRB Entry 18365

Name: Backbone and side chain 1H, 13C, and 15N Chemical Shift Assignments for Hen Egg White Lysozyme mutant WT-ALA
Published: 2012-04-18

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18365

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Backbone and side chain 1H, 13C, and 15N Chemical Shift Assignments for Hen Egg White Lysozyme mutant WT-ALA

Deposition date:

2012-03-29

Original release date:

2012-04-18

Authors:

Sziegat, Friederike; Silvers, Robert; Haehnke, Martin; Jensen, Malene; Blackledge, Martin; Wirmer-Bartoschek, Julia; Schwalbe, Harald

Citation:

Citation: Sziegat, Friederike; Silvers, Robert; Hahnke, Martin; Jensen, Malene Ringkjbing; Blackledge, Martin; Wirmer-Bartoschek, Julia; Schwalbe, Harald. "Disentangling the coil: modulation of conformational and dynamic properties by site-directed mutation in the non-native state of hen egg white lysozyme." Biochemistry 51, 3361-3372 (2012).
PubMed: 22468860

Assembly members:

Assembly members:
WT-ALA, polymer, 129 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Chicken 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):
WT-ALA: KVFGRAELAAAMKRHGLDNY RGYSLGNWVAAAKFESNFNT QATNRNTDGSTDYGILQINS RWWANDGRTPGSRNLANIPA SALLSSDITASVNAAKKIVS DGNGMNAWVAWRNRAKGTDV QAWIRGARL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	363
15N chemical shifts	125
1H chemical shifts	469

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	WT-ALA	1

Entities:

Entity 1, WT-ALA 129 residues - Formula weight is not available

1

LYS

VAL

PHE

GLY

ARG

ALA

GLU

LEU

ALA

2

ALA

MET

LYS

ARG

HIS

GLY

LEU

ASP

ASN

TYR

3

ARG

GLY

TYR

SER

LEU

GLY

ASN

TRP

VAL

ALA

4

ALA

LYS

PHE

GLU

SER

ASN

PHE

ASN

THR

5

GLN

ALA

THR

ASN

ARG

ASN

THR

ASP

GLY

SER

6

THR

ASP

TYR

GLY

ILE

LEU

GLN

ILE

ASN

SER

7

ARG

TRP

ALA

ASN

ASP

GLY

ARG

THR

PRO

8

GLY

SER

ARG

ASN

LEU

ALA

ASN

ILE

PRO

ALA

9

SER

ALA

LEU

SER

ASP

ILE

THR

ALA

10

SER

VAL

ASN

ALA

LYS

ILE

VAL

SER

11

ASP

GLY

ASN

GLY

MET

ASN

ALA

TRP

VAL

ALA

12

TRP

ARG

ASN

ARG

ALA

LYS

GLY

THR

ASP

VAL

13

GLN

ALA

TRP

ILE

ARG

GLY

ALA

ARG

LEU

Samples:

sample_1: WT-ALA, [U-99% 15N], 300 uM; H2O 49.95 M; D2O, [U-2H], 5.55 M

sample_2: WT-ALA, [U-99% 13C; U-99% 15N], 300 uM; H2O 49,95 M; D2O, [U-2H], 5,55 M

sample_conditions_1: 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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HN(COCA)HAHB	sample_2	isotropic	sample_conditions_1
3D HN(CO)HB	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker DRX 600 MHz