BMRB Entry 11514

Name: NMR chemical shift of carbohydrate binding module, C2, derived from GH8 chitosanase from Paenibacillus fukuinensis D2
Published: 2012-11-02

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11514

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR chemical shift of carbohydrate binding module, C2, derived from GH8 chitosanase from Paenibacillus fukuinensis D2

Deposition date: 2012-10-03 Original release date: 2012-11-02

Authors: Shinya, Shoko; Kimoto, Hisashi; Kusaoke, Hideo; Ohnuma, Takayuki; Fukamizo, Tamo

Citation: Shinya, Shoko; Kimoto, Hisashi; Kusaoke, Hideo; Ohnuma, Takayuki; Fukamizo, Tamo. "Chitosan-binding modules derived from Paenibacillus fukuinensis D2 : binding mode and specificity evaluated from NMR spectroscopy" J. Biol. Chem. ., .-..

Assembly members:
C2_domain, polymer, 131 residues, Formula weight is not available

Natural source: Common Name: Paenibacillus fukuinensis Taxonomy ID: 170835 Superkingdom: Bacteria Kingdom: not available Genus/species: Paenibacillus fukuinensis

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

Entity Sequences (FASTA):
C2_domain: NLALNKATATSSIETAGHEG DKAVDGNAATRWASAYGASP QWIYINLGSTQSISRVKLNW EDAYATAYSIQVSNDSGSTP TNWTTVYSTTTGDGAIDDIT FAATNAKFVRVYATTRATAY GYSLWEFEVYG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	357
15N chemical shifts	118
1H chemical shifts	118

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C2 domain	1

Entities:

Entity 1, C2 domain 131 residues - Formula weight is not available

1

ASN

LEU

ALA

LEU

ASN

LYS

ALA

THR

ALA

THR

2

SER

ILE

GLU

THR

ALA

GLY

HIS

GLU

GLY

3

ASP

LYS

ALA

VAL

ASP

GLY

ASN

ALA

THR

4

ARG

TRP

ALA

SER

ALA

TYR

GLY

ALA

SER

PRO

5

GLN

TRP

ILE

TYR

ILE

ASN

LEU

GLY

SER

THR

6

GLN

SER

ILE

SER

ARG

VAL

LYS

LEU

ASN

TRP

7

GLU

ASP

ALA

TYR

ALA

THR

ALA

TYR

SER

ILE

8

GLN

VAL

SER

ASN

ASP

SER

GLY

SER

THR

PRO

9

THR

ASN

TRP

THR

VAL

TYR

SER

THR

10

THR

GLY

ASP

GLY

ALA

ILE

ASP

ILE

THR

11

PHE

ALA

THR

ASN

ALA

LYS

PHE

VAL

ARG

12

VAL

TYR

ALA

THR

ARG

ALA

THR

ALA

TYR

13

GLY

TYR

SER

LEU

TRP

GLU

PHE

GLU

VAL

TYR

14

GLY

Samples:

sample_1: C2 domain, [U-99% 13C; U-99% 15N], 0.2 mM; sodium acetate 50 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.0; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 500 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts