BMRB Entry 11592

Name: Solution structure of chitosan-binding module 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5
Published: 2016-04-04

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PDB ID: 2rva
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11592
MolProbity Validation Chart

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Nicholas Rego and David Koes
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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 2 derived from chitosanase/glucanase from Paenibacillus sp. IK-5

Deposition date:

2015-05-13

Original release date:

2016-04-04

Authors:

Shinya, Shoko; Nishimura, Shigenori; Fukamizo, Tamo

Citation:

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).
PubMed: 26936968

Assembly members:

Assembly members:
DD2, polymer, 131 residues, 14081.312 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET Blue-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DD2: NLALNKATATSSIETAGHEG DKAVDGNAATRWASAYGASP QWIYINLGSTQSISRVKLNW EDAYATAYSIQVSNDSGSTP TNWTTVYSTTTGDGAIDDIT FAATNAKFVRVYATTRATAY GYSLWEFEVYG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	469
15N chemical shifts	137
1H chemical shifts	671

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 131 residues - 14081.312 Da.

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: DD2, [U-95% 13C; U-95% 15N], 0.4 mM; TRIS 10 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: DD2, [U-95% 13C; U-95% 15N], 0.4 mM; D2O, [U-2H], 100%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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
3D CBCA(CO)NH	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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - dihedral angle prediction

NMR spectrometers:

Bruker Avance 500 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks