BMRB Entry 34520

Name: NMR solution structure of the carbohydrate-binding module family 73 (CBM73) from Cellvibrio japonicus CjLPMO10A
Published: 2021-04-26

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PDB ID: 6z41
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34520
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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:

NMR solution structure of the carbohydrate-binding module family 73 (CBM73) from Cellvibrio japonicus CjLPMO10A

Deposition date:

2020-05-22

Original release date:

2021-04-26

Authors:

Madland, E.; Aachmann, F.; Courtade, G.

Citation:

Citation: Madland, E.; Forsberg, Z.; Wang, Y.; Lindorff-Larsen, K.; Niebisch, A.; Modregger, J.; Eijsink, V.; Aachmann, F.; Courtade, G.. "Structural and functional variation of chitin-binding domains of a lytic polysaccharide monooxygenase from Cellvibrio japonicus" J. Biol. Chem. 297, 101084-101084 (2021).
PubMed: 34411561

Assembly members:

Assembly members:
entity_1, polymer, 68 residues, 7404.142 Da.

Natural source:

Natural source: Common Name: Cellvibrio japonicus Taxonomy ID: 498211 Superkingdom: Bacteria Kingdom: not available Genus/species: Cellvibrio japonicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pNIC-CH

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGNCISPVYVDGSSYANNAL VQNNGSEYRCLVGGWCTVGG PYAPGTGWAWANAWELVRSC QAHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	206
15N chemical shifts	67
1H chemical shifts	327

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 68 residues - 7404.142 Da.

1

MET

GLY

ASN

CYS

ILE

SER

PRO

VAL

TYR

VAL

2

ASP

GLY

SER

TYR

ALA

ASN

ALA

LEU

3

VAL

GLN

ASN

GLY

SER

GLU

TYR

ARG

CYS

4

LEU

VAL

GLY

TRP

CYS

THR

VAL

GLY

5

PRO

TYR

ALA

PRO

GLY

THR

GLY

TRP

ALA

TRP

6

ALA

ASN

ALA

TRP

GLU

LEU

VAL

ARG

SER

CYS

7

GLN

ALA

HIS

Samples:

sample_1: CBM73 0.1 ± 0.05 mM; sodium phosphate 25 mM; sodium chloride 10 mM

sample_2: CBM73 0.1 ± 0.05 mM; sodium phosphate 25 mM; sodium chloride 10 mM

sample_3: CBM73, [U-15N], 0.1 ± 0.05 mM; sodium phosphate 25 mM; sodium chloride 10 mM

sample_4: CBM73, [U-13C; U-15N], 0.1 ± 0.05 mM; sodium phosphate 25 mM; sodium chloride 10 mM

sample_conditions_1: ionic strength: 55 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_4	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_4	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_4	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_4	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_4	isotropic	sample_conditions_1

Software:

TopSpin v3.5, Bruker Biospin - processing

CARA v1.5.5, Keller and Wuthrich - chemical shift assignment

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation

YASARA v14.6.23, YASARA - refinement

NMR spectrometers:

Bruker AVANCE III 80 MHz

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