BMRB Entry 51488

Name: Backbone assignment of the LCC PETase
Published: 2022-08-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51488

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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: Backbone assignment of the LCC PETase PubMed: 35794828

Deposition date: 2022-06-13 Original release date: 2022-08-08

Authors: Charlier, Cyril; Lippens, Guy

Citation: Charlier, Cyril; Gavalda, Sabine; Borsenberger, Vinciane; Duquesne, Sophie; Marty, Alain; Tournier, Vincent; Lippens, Guy. "An NMR look at an engineered PET depolymerase" Biophys. J. 121, 2882-2894 (2022).

Assembly members:
entity_1, polymer, 258 residues, Formula weight is not available

Natural source: Common Name: uncultured bacterium Taxonomy ID: 77133 Superkingdom: Bacteria Kingdom: not available Genus/species: uncultured bacterium

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-26b

Entity Sequences (FASTA):
entity_1: SNPYQRGPNPTRSALTADGP FSVATYTVSRLSVSGFGGGV IYYPTGTSLTFGGIAMSPGY TADASSLAWLGRRLASHGFV VLVINTNSRFDYPDSRASQL SAALNYLRTSSPSAVRARLD ANRLAVAGHAMGGGGTLRIA EQNPSLKAAVPLTPWHTDKT FNTSVPVLIVGAEADTVAPV SQHAIPFYQNLPSTTPKVYV ELDNASHFAPNSNNAAISVY TISWMKLWVDNDTRYRQFLC NVNDPALSDFRTNNRHCQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	647
15N chemical shifts	204
1H chemical shifts	204

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LCC PETase	1

Entities:

Entity 1, LCC PETase 258 residues - Formula weight is not available

1

SER

ASN

PRO

TYR

GLN

ARG

GLY

PRO

ASN

PRO

2

THR

ARG

SER

ALA

LEU

THR

ALA

ASP

GLY

PRO

3

PHE

SER

VAL

ALA

THR

TYR

THR

VAL

SER

ARG

4

LEU

SER

VAL

SER

GLY

PHE

GLY

VAL

5

ILE

TYR

PRO

THR

GLY

THR

SER

LEU

THR

6

PHE

GLY

ILE

ALA

MET

SER

PRO

GLY

TYR

7

THR

ALA

ASP

ALA

SER

LEU

ALA

TRP

LEU

8

GLY

ARG

LEU

ALA

SER

HIS

GLY

PHE

VAL

9

VAL

LEU

VAL

ILE

ASN

THR

ASN

SER

ARG

PHE

10

ASP

TYR

PRO

ASP

SER

ARG

ALA

SER

GLN

LEU

11

SER

ALA

LEU

ASN

TYR

LEU

ARG

THR

SER

12

SER

PRO

SER

ALA

VAL

ARG

ALA

ARG

LEU

ASP

13

ALA

ASN

ARG

LEU

ALA

VAL

ALA

GLY

HIS

ALA

14

MET

GLY

THR

LEU

ARG

ILE

ALA

15

GLU

GLN

ASN

PRO

SER

LEU

LYS

ALA

VAL

16

PRO

LEU

THR

PRO

TRP

HIS

THR

ASP

LYS

THR

17

PHE

ASN

THR

SER

VAL

PRO

VAL

LEU

ILE

VAL

18

GLY

ALA

GLU

ALA

ASP

THR

VAL

ALA

PRO

VAL

19

SER

GLN

HIS

ALA

ILE

PRO

PHE

TYR

GLN

ASN

20

LEU

PRO

SER

THR

PRO

LYS

VAL

TYR

VAL

21

GLU

LEU

ASP

ASN

ALA

SER

HIS

PHE

ALA

PRO

22

ASN

SER

ASN

ALA

ILE

SER

VAL

TYR

23

THR

ILE

SER

TRP

MET

LYS

LEU

TRP

VAL

ASP

24

ASN

ASP

THR

ARG

TYR

ARG

GLN

PHE

LEU

CYS

25

ASN

VAL

ASN

ASP

PRO

ALA

LEU

SER

ASP

PHE

26

ARG

THR

ASN

ARG

HIS

CYS

GLN

Samples:

sample_1: LCC inactive mutant (S165A), [U-98% 13C; U-98% 15N], 600 uM; Tris-HCl 25 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

TOPSPIN v3.5pl6 - collection

NMR spectrometers:

Bruker AVANCE III 800 MHz

Biological Magnetic Resonance Data Bank