BMRB Entry 18305

Name: Order parameters for HEWL-chitotriose
Published: 2012-06-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18305

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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:

Order parameters for HEWL-chitotriose

Deposition date:

2012-02-29

Original release date:

2012-06-13

Authors:

Moorman, Veronica; Valentine, Kathleen; Wand, Joshua

Citation:

Citation: Moorman, Veronica; Valentine, Kathleen; Wand, A. Joshua. "The dynamical response of hen egg white lysozyme to the binding of a carbohydrate ligand." Protein Sci. 21, 1066-1073 (2012).
PubMed: 22593013

Assembly members:

Assembly members:
HEWL, polymer, 129 residues, Formula weight is not available
N-ACETYL-D-GLUCOSAMINE, non-polymer, 221.208 Da.

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):
HEWL: KVFGRCELAAAMKRHGLDNY RGYSLGNWVCAAKFESNFNT QATNRNTDGSTDYGILQINS RWWCNDGRTPGSRNLCNIPC SALLSSDITASVNCAKKIVS DGNGMNAWVAWRNRCKGTDV QAWIRGCRL

Data sets:

order_parameters
- order_parameter_list_1
- order_parameter_list_2

Data type	Count
order parameters	138

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HEWL	1
2	chitotriose	2

Entities:

Entity 1, HEWL 129 residues - Formula weight is not available

1

LYS

VAL

PHE

GLY

ARG

CYS

GLU

LEU

ALA

2

ALA

MET

LYS

ARG

HIS

GLY

LEU

ASP

ASN

TYR

3

ARG

GLY

TYR

SER

LEU

GLY

ASN

TRP

VAL

CYS

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

CYS

ASN

ASP

GLY

ARG

THR

PRO

8

GLY

SER

ARG

ASN

LEU

CYS

ASN

ILE

PRO

CYS

9

SER

ALA

LEU

SER

ASP

ILE

THR

ALA

10

SER

VAL

ASN

CYS

ALA

LYS

ILE

VAL

SER

11

ASP

GLY

ASN

GLY

MET

ASN

ALA

TRP

VAL

ALA

12

TRP

ARG

ASN

ARG

CYS

LYS

GLY

THR

ASP

VAL

13

GLN

ALA

TRP

ILE

ARG

GLY

CYS

ARG

LEU

Entity 2, chitotriose - C8 H15 N O6 - 221.208 Da.

1

NAG

Samples:

sample_1: HEWL, [U-100% 13C; U-100% 15N; U-55% 2H], 410 uM; chitotriose 492 uM; acetate 100 mM; sodium azide 0.04%; H2O 90%; D2O 10%

sample_conditions_1: temperature: 308.15 K; pH: 4.7; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
N T1 relaxation	sample_1	isotropic	sample_conditions_1
N T1 relaxation	sample_1	isotropic	sample_conditions_1
N T2 relaxation	sample_1	isotropic	sample_conditions_1
N T2 relaxation	sample_1	isotropic	sample_conditions_1
N NOE relaxation	sample_1	isotropic	sample_conditions_1
N NOE relaxation	sample_1	isotropic	sample_conditions_1
IzCz relaxation	sample_1	isotropic	sample_conditions_1
IzCz relaxation	sample_1	isotropic	sample_conditions_1
IzCzDz relaxation	sample_1	isotropic	sample_conditions_1
IzCzDz relaxation	sample_1	isotropic	sample_conditions_1
IzCzDy relaxation	sample_1	isotropic	sample_conditions_1
IzCzDy relaxation	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

Felix, Accelrys Software Inc. - processing

in-house_software, wandlab.org - data analysis

NMR spectrometers:

Bruker Avance 750 MHz
Bruker Avance 600 MHz

Related Database Links:

BMRB	1093 1104 1105 11052 1650 1651 1653 1770 1772 1798 1799 1800 1801 1802 1803 18304 1865 1881 1882 1883 1884 1975 1977 2231 2446 2786 2858 2917 2957 4562
PDB	193L 194L 1A2Y 1AKI 1AT5 1AT6 1AZF 1B0D 1B2K 1BGI 1BHZ 1BQL 1BVK 1BVX 1BWH 1BWI 1BWJ 1C08 1C10 1DKJ 1DKK 1DPW 1DPX 1DQJ 1E8L 1F0W 1F10 1FDL 1FLQ 1FLU 1FLW 1FLY 1FN5 1G7H 1G7I 1G7J 1G7L 1G7M 1GPQ 1GWD 1GXV 1GXX 1H6M 1H87 1HC0 1HEL 1HEM 1HEN 1HEO 1HEP 1HEQ 1HER 1HEW 1HF4 1HSW 1HSX 1IC4 1IC5 1IC7 1IEE 1IO5 1IOQ 1IOR 1IOS 1IOT 1IR7 1IR8 1IR9 1J1O 1J1P 1J1X 1JA2 1JA4 1JA6 1JA7 1JIS 1JIT 1JIY 1JJ0 1JJ1 1JJ3 1JPO 1JTO 1JTT 1KIP 1KIQ 1KIR 1KXW 1KXX 1KXY 1LCN 1LJ3 1LJ4 1LJE 1LJF 1LJG 1LJH 1LJI 1LJJ 1LJK 1LKR 1LKS 1LMA 1LPI 1LSA 1LSB 1LSC 1LSD 1LSE 1LSF 1LSG 1LSM 1LSN 1LSY 1LSZ 1LYO 1LYS 1LYZ 1LZ8 1LZ9 1LZA 1LZB 1LZC 1LZD 1LZE 1LZG 1LZH 1LZN 1LZT 1MEL 1MLC 1N4F 1NBY 1NBZ 1NDG 1NDM 1P2C 1PS5 1QIO 1QTK 1RCM 1RFP 1RI8 1RJC 1SF4 1SF6
.	. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
AlphaFold	P00698 P00699 P00700 Q7LZP9 Q7LZQ0