BMRB Entry 11513

Name: NMR chemical shift of carbohydrate binding module, C1, derived from GH8 chitosanase/glucanase from Paenibacillus fukuinensis D2
Published: 2012-11-02

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11513

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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, C1, derived from GH8 chitosanase/glucanase from Paenibacillus fukuinensis D2

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

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

Citation: Shinya, Shoko; Kimoto, Hisashi; Kusaoke, Hideo; Ohnuma, Takayuki; Fukamizo, Tamo. "Chitosan-binding modules derived from Paenibacillus fukuinensis D1 : binding mode and specificity evaluated from NMR spectroscopy" J. Biol. Chem. ., .-..

Assembly members:
C1_domain, polymer, 130 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):
C1_domain: NLALNKTATASSIEGAGFEA SRAFDGSSTTRWASAEGVDP QWIYVNLGSSQTVNRVKLNW EAAYASSYTIQVSNDSGTPT NWTTVYTTTTGDGGIDDITF TARTAKYVRVHGTVRGTPYG YSLWEFEVYG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	344
15N chemical shifts	112
1H chemical shifts	112

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C1 domain	1

Entities:

Entity 1, C1 domain 130 residues - Formula weight is not available

1	ASN	LEU	ALA	LEU	ASN	LYS	THR	ALA	THR	ALA
2	SER	SER	ILE	GLU	GLY	ALA	GLY	PHE	GLU	ALA
3	SER	ARG	ALA	PHE	ASP	GLY	SER	SER	THR	THR
4	ARG	TRP	ALA	SER	ALA	GLU	GLY	VAL	ASP	PRO
5	GLN	TRP	ILE	TYR	VAL	ASN	LEU	GLY	SER	SER
6	GLN	THR	VAL	ASN	ARG	VAL	LYS	LEU	ASN	TRP
7	GLU	ALA	ALA	TYR	ALA	SER	SER	TYR	THR	ILE
8	GLN	VAL	SER	ASN	ASP	SER	GLY	THR	PRO	THR
9	ASN	TRP	THR	THR	VAL	TYR	THR	THR	THR	THR
10	GLY	ASP	GLY	GLY	ILE	ASP	ASP	ILE	THR	PHE
11	THR	ALA	ARG	THR	ALA	LYS	TYR	VAL	ARG	VAL
12	HIS	GLY	THR	VAL	ARG	GLY	THR	PRO	TYR	GLY
13	TYR	SER	LEU	TRP	GLU	PHE	GLU	VAL	TYR	GLY

Samples:

C1: C1 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	C1	isotropic	sample_conditions_1
3D CBCA(CO)NH	C1	isotropic	sample_conditions_1
3D HNCACB	C1	isotropic	sample_conditions_1
3D HNCO	C1	isotropic	sample_conditions_1
3D HNCACO	C1	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

1	ASN	LEU	ALA	LEU	ASN	LYS	THR	ALA	THR	ALA
2	SER	SER	ILE	GLU	GLY	ALA	GLY	PHE	GLU	ALA
3	SER	ARG	ALA	PHE	ASP	GLY	SER	SER	THR	THR
4	ARG	TRP	ALA	SER	ALA	GLU	GLY	VAL	ASP	PRO
5	GLN	TRP	ILE	TYR	VAL	ASN	LEU	GLY	SER	SER
6	GLN	THR	VAL	ASN	ARG	VAL	LYS	LEU	ASN	TRP
7	GLU	ALA	ALA	TYR	ALA	SER	SER	TYR	THR	ILE
8	GLN	VAL	SER	ASN	ASP	SER	GLY	THR	PRO	THR
9	ASN	TRP	THR	THR	VAL	TYR	THR	THR	THR	THR
10	GLY	ASP	GLY	GLY	ILE	ASP	ASP	ILE	THR	PHE
11	THR	ALA	ARG	THR	ALA	LYS	TYR	VAL	ARG	VAL
12	HIS	GLY	THR	VAL	ARG	GLY	THR	PRO	TYR	GLY
13	TYR	SER	LEU	TRP	GLU	PHE	GLU	VAL	TYR	GLY

1	ASN	LEU	ALA	LEU	ASN	LYS	THR	ALA	THR	ALA
2	SER	SER	ILE	GLU	GLY	ALA	GLY	PHE	GLU	ALA
3	SER	ARG	ALA	PHE	ASP	GLY	SER	SER	THR	THR
4	ARG	TRP	ALA	SER	ALA	GLU	GLY	VAL	ASP	PRO
5	GLN	TRP	ILE	TYR	VAL	ASN	LEU	GLY	SER	SER
6	GLN	THR	VAL	ASN	ARG	VAL	LYS	LEU	ASN	TRP
7	GLU	ALA	ALA	TYR	ALA	SER	SER	TYR	THR	ILE
8	GLN	VAL	SER	ASN	ASP	SER	GLY	THR	PRO	THR
9	ASN	TRP	THR	THR	VAL	TYR	THR	THR	THR	THR
10	GLY	ASP	GLY	GLY	ILE	ASP	ASP	ILE	THR	PHE
11	THR	ALA	ARG	THR	ALA	LYS	TYR	VAL	ARG	VAL
12	HIS	GLY	THR	VAL	ARG	GLY	THR	PRO	TYR	GLY
13	TYR	SER	LEU	TRP	GLU	PHE	GLU	VAL	TYR	GLY

1	ASN	LEU	ALA	LEU	ASN	LYS	THR	ALA	THR	ALA
2	SER	SER	ILE	GLU	GLY	ALA	GLY	PHE	GLU	ALA
3	SER	ARG	ALA	PHE	ASP	GLY	SER	SER	THR	THR
4	ARG	TRP	ALA	SER	ALA	GLU	GLY	VAL	ASP	PRO
5	GLN	TRP	ILE	TYR	VAL	ASN	LEU	GLY	SER	SER
6	GLN	THR	VAL	ASN	ARG	VAL	LYS	LEU	ASN	TRP
7	GLU	ALA	ALA	TYR	ALA	SER	SER	TYR	THR	ILE
8	GLN	VAL	SER	ASN	ASP	SER	GLY	THR	PRO	THR
9	ASN	TRP	THR	THR	VAL	TYR	THR	THR	THR	THR
10	GLY	ASP	GLY	GLY	ILE	ASP	ASP	ILE	THR	PHE
11	THR	ALA	ARG	THR	ALA	LYS	TYR	VAL	ARG	VAL
12	HIS	GLY	THR	VAL	ARG	GLY	THR	PRO	TYR	GLY
13	TYR	SER	LEU	TRP	GLU	PHE	GLU	VAL	TYR	GLY