BMRB Entry 12019

Name: Solid-state NMR C-13 and N-15 chemical shifts of the chitin binding domain of chitinase A1 from Bacillus circulans WL-12
Published: 2018-12-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR12019

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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:

Solid-state NMR C-13 and N-15 chemical shifts of the chitin binding domain of chitinase A1 from Bacillus circulans WL-12

Deposition date:

2018-04-12

Original release date:

2018-12-11

Authors:

Akutsu, Hideo; Tanaka, Hiroki; Fujiwara, Toshimichi; Ikegami, Takahisa; Watanabe, Takeshi

Citation:

Citation: Tanaka, Hiroki; Akutsu, Hideo; Yabuta, Izumi; Hara, Masashi; Sugimoto, Hayuki; Ikegami, Takahisa; Watanabe, Takeshi; Fujiwara, Toshimichi. "A novel chitin-binding mode of the chitin-binding domain of chitinase A1 from Bacillus circulans WL-12 revealed by solid-state NMR." FEBS Lett. 592, 3173-3182 (2018).
PubMed: 30125342

Assembly members:

Assembly members:
ChBDA1, polymer, 46 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Bacillus circulans Taxonomy ID: 1397 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus circulans

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ChBDA1: XAWQVNTAYTAGQLVTYNGK TYKCLQPHTSLAGWEPSNVP ALWQLQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	225
15N chemical shifts	49

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	chitin-binding domain of chitinase A1	1

Entities:

Entity 1, chitin-binding domain of chitinase A1 46 residues - Formula weight is not available

1

FMT

ALA

TRP

GLN

VAL

ASN

THR

ALA

TYR

THR

2

ALA

GLY

GLN

LEU

VAL

THR

TYR

ASN

GLY

LYS

3

THR

TYR

LYS

CYS

LEU

GLN

PRO

HIS

THR

SER

4

LEU

ALA

GLY

TRP

GLU

PRO

SER

ASN

VAL

PRO

5

ALA

LEU

TRP

GLN

LEU

GLN

Samples:

sample_1: ChBDA1, [U-99% 13C; U-99% 15N], 17 mg; TrisHcl 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 8; pressure: 1 atm; temperature: 253 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D RFDR	sample_1	isotropic	sample_conditions_1
2D DARR	sample_1	isotropic	sample_conditions_1
2D INADEQUATE	sample_1	isotropic	sample_conditions_1
2D NCACB	sample_1	isotropic	sample_conditions_1
3D NCOCA	sample_1	isotropic	sample_conditions_1
3D NCACO	sample_1	isotropic	sample_conditions_1

Software:

Felix, Accelrys Software Inc. - data analysis

NMR spectrometers:

Varian Inifinity plus 500 MHz
Varian Inifinity plus 700 MHz