BMRB Entry 27411

Name: 1H, 13C and 15N chemical shift assignments for a family AA9 LPMO from Thermoascus aurantiacus (TaLPMO9A)
Published: 2018-09-19

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27411

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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:

1H, 13C and 15N chemical shift assignments for a family AA9 LPMO from Thermoascus aurantiacus (TaLPMO9A)

Deposition date:

2018-02-27

Original release date:

2018-09-19

Authors:

Kitaoku, Yoshihito; Courtade, Gaston; Petrovic, Dejan; Eijsink, Vincent; Aachmann, Finn

Citation:

Citation: Kitaoku, Yoshihito; Courtade, Gaston; Petrovic, Dejan; Fukamizo, Tamo; Eijsink, Vincent; Aachmann, Finn. "Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for the apo-form of the lytic polysaccharide monooxygenase TaLPMO9A" Biomol. NMR Assignments 12, 357-361 (2018).
PubMed: 30117034

Assembly members:

Assembly members:
TaLPMO9A, polymer, 228 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Thermoascus aurantiacus Taxonomy ID: 5087 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Thermoascus aurantiacus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pPink-GAP

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TaLPMO9A: HGFVQNIVIDGKNYGGYLVN QYPYMSNPPEVIAWSTTATD LGFVDGTGYQTPDIICHRGA KPGALTAPVSPGGTVELQWT PWPDSHHGPVINYLAPCNGD CSTVDKTQLEFFKIAESGLI NDDNPPGIWASDNLIAANNS WTVTIPTTIAPGNYVLRHEI IALHSAQNQDGAQNYPQCIN LQVTGGGSDNPAGTLGTALY HDTDPGILINIYQKLSSYII PGPPLYTG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	725
15N chemical shifts	196
1H chemical shifts	1065

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TaLPMO9A	1

Entities:

Entity 1, TaLPMO9A 228 residues - Formula weight is not available

1

HIS

GLY

PHE

VAL

GLN

ASN

ILE

VAL

ILE

ASP

2

GLY

LYS

ASN

TYR

GLY

TYR

LEU

VAL

ASN

3

GLN

TYR

PRO

TYR

MET

SER

ASN

PRO

GLU

4

VAL

ILE

ALA

TRP

SER

THR

ALA

THR

ASP

5

LEU

GLY

PHE

VAL

ASP

GLY

THR

GLY

TYR

GLN

6

THR

PRO

ASP

ILE

CYS

HIS

ARG

GLY

ALA

7

LYS

PRO

GLY

ALA

LEU

THR

ALA

PRO

VAL

SER

8

PRO

GLY

THR

VAL

GLU

LEU

GLN

TRP

THR

9

PRO

TRP

PRO

ASP

SER

HIS

GLY

PRO

VAL

10

ILE

ASN

TYR

LEU

ALA

PRO

CYS

ASN

GLY

ASP

11

CYS

SER

THR

VAL

ASP

LYS

THR

GLN

LEU

GLU

12

PHE

LYS

ILE

ALA

GLU

SER

GLY

LEU

ILE

13

ASN

ASP

ASN

PRO

GLY

ILE

TRP

ALA

14

SER

ASP

ASN

LEU

ILE

ALA

ASN

SER

15

TRP

THR

VAL

THR

ILE

PRO

THR

ILE

ALA

16

PRO

GLY

ASN

TYR

VAL

LEU

ARG

HIS

GLU

ILE

17

ILE

ALA

LEU

HIS

SER

ALA

GLN

ASN

GLN

ASP

18

GLY

ALA

GLN

ASN

TYR

PRO

GLN

CYS

ILE

ASN

19

LEU

GLN

VAL

THR

GLY

SER

ASP

ASN

20

PRO

ALA

GLY

THR

LEU

GLY

THR

ALA

LEU

TYR

21

HIS

ASP

THR

ASP

PRO

GLY

ILE

LEU

ILE

ASN

22

ILE

TYR

GLN

LYS

LEU

SER

TYR

ILE

23

PRO

GLY

PRO

LEU

TYR

THR

GLY

Samples:

sample_H2O: TaLPMO9A, [U-98% 13C; U-98% 15N], 50 uM; ammonium acetate 25 mM

sample_D2O: TaLPMO9A, [U-98% 13C; U-98% 15N], 50 uM; sodium phosphate 50 mM; sodium chloride 25 mM

sample_conditions_H2O: ionic strength: 25 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions_D2O: ionic strength: 75 mM; pH*: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_H2O	isotropic	sample_conditions_H2O
3D 1H-15N NOESY	sample_H2O	isotropic	sample_conditions_H2O
3D CBCA(CO)NH	sample_H2O	isotropic	sample_conditions_H2O
3D HBHA(CO)NH	sample_H2O	isotropic	sample_conditions_H2O
3D HCCH-TOCSY	sample_D2O	isotropic	sample_conditions_D2O
3D HNCACB	sample_H2O	isotropic	sample_conditions_H2O
3D HN(CA)CO	sample_H2O	isotropic	sample_conditions_H2O
3D HNCA	sample_H2O	isotropic	sample_conditions_H2O
3D HNCO	sample_H2O	isotropic	sample_conditions_H2O
2D 1H-13C HSQC aliphatic	sample_D2O	isotropic	sample_conditions_D2O
2D 1H-13C HSQC aromatic	sample_D2O	isotropic	sample_conditions_D2O
3D 1H-13C NOESY aromatic	sample_D2O	isotropic	sample_conditions_D2O

Software:

TOPSPIN v3.5, Bruker Biospin - collection, processing

CARA v1.5/1.8, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Ascend 800 MHz

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