BMRB Entry 11591

Name: Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
Published: 2016-04-04

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PDB ID: 2rv9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11591
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5 PubMed: 26936968

Deposition date: 2015-05-12 Original release date: 2016-04-04

Authors: Shinya, Shoko; Nishimura, Shigenori; Fukamizo, Tamo

Citation: Shinya, Shoko; Nishimura, Shigenori; Kitaoku, Yoshihito; Ohnuma, Takayuki; Numata, Tomoyuki; Kimoto, Hisashi; Kusaoke, Hideo; Fukamizo, Tamo. "Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase" Biochem. J. ., .-. (2016).

Assembly members:
DD1, polymer, 130 residues, 14093.350 Da.

Natural source: Common Name: Paenibacillus sp. Taxonomy ID: 44249 Superkingdom: Bacteria Kingdom: not available Genus/species: Paenibacillus sp.

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

Entity Sequences (FASTA):
DD1: NLALNKTATASSIEGAGFEA SRAFDGSSTTRWASAEGVDP QWIYVNLGSSQTVNRVKLNW EAAYASSYTIQVSNDSGTPT NWTTVYTTTTGDGGIDDITF TARTAKYVRVHGTVRGTPYG YSLWEFEVYG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	457
15N chemical shifts	140
1H chemical shifts	677

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity	1

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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1

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

Biological Magnetic Resonance Data Bank

BMRB Entry 11591

Title: Solution structure of chitosan-binding module 1 derived from chitosanase/glucanase from Paenibacillus sp. IK-5 PubMed: 26936968

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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