BMRB Entry 27697

Name: 1H, 15N, 13C backbone resonance assignments of the D10N variant of beta-phosphoglucomutase in a transition state analogue complex with glucose 6-phosphate and AlF4-
Published: 2021-11-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27697

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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, 15N, 13C backbone resonance assignments of the D10N variant of beta-phosphoglucomutase in a transition state analogue complex with glucose 6-phosphate and AlF4-

Deposition date:

2018-11-20

Original release date:

2021-11-29

Authors:

Robertson, Angus; Baxter, Nicola

Citation:

Citation: Robertson, Angus; Wilson, Alex; Burn, Matthew; Cliff, Matthew; Popelier, Paul; Waltho, Jonathan. "The Relationship between Enzyme Conformational Change, Proton Transfer, and Phosphoryl Transfer in beta-Phosphoglucomutase" ACS Catal. 11, 12840-12849 (2021).

Assembly members:

Assembly members:
beta-phosphoglucomutase, polymer, 221 residues, 24209.65 Da.
entity_G6P, non-polymer, 260.136 Da.
entity_MG, non-polymer, 24.305 Da.
entity_ALF, non-polymer, 102.975 Da.

Natural source:

Natural source: Common Name: Lactococcus lactis Taxonomy ID: 1358 Superkingdom: Bacteria Kingdom: not available Genus/species: Lactococcus lactis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
beta-phosphoglucomutase: MFKAVLFDLNGVITDTAEYH FRAWKALAEEIGINGVDRQF NEQLKGVSREDSLQKILDLA DKKVSAEEFKELAKRKNDNY VKMIQDVSPADVYPGILQLL KDLRSNKIKIALASASKNGP FLLERMNLTGYFDAIADPAE VAASKPAPDIFIAAAHAVGV APSESIGLEDSQAGIQAIKD SGALPIGVGRPEDLGDDIVI VPDTSHYTLEFLKEVWLQKQ K

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	644
15N chemical shifts	210
19F chemical shifts	4
1H chemical shifts	210

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	bPGM(D10N)	1
2	G6P	2
3	Mg	3
4	ALF	4

Entities:

Entity 1, bPGM(D10N) 221 residues - 24209.65 Da.

1

MET

PHE

LYS

ALA

VAL

LEU

PHE

ASP

LEU

ASN

2

GLY

VAL

ILE

THR

ASP

THR

ALA

GLU

TYR

HIS

3

PHE

ARG

ALA

TRP

LYS

ALA

LEU

ALA

GLU

4

ILE

GLY

ILE

ASN

GLY

VAL

ASP

ARG

GLN

PHE

5

ASN

GLU

GLN

LEU

LYS

GLY

VAL

SER

ARG

GLU

6

ASP

SER

LEU

GLN

LYS

ILE

LEU

ASP

LEU

ALA

7

ASP

LYS

VAL

SER

ALA

GLU

PHE

LYS

8

GLU

LEU

ALA

LYS

ARG

LYS

ASN

ASP

ASN

TYR

9

VAL

LYS

MET

ILE

GLN

ASP

VAL

SER

PRO

ALA

10

ASP

VAL

TYR

PRO

GLY

ILE

LEU

GLN

LEU

11

LYS

ASP

LEU

ARG

SER

ASN

LYS

ILE

LYS

ILE

12

ALA

LEU

ALA

SER

ALA

SER

LYS

ASN

GLY

PRO

13

PHE

LEU

GLU

ARG

MET

ASN

LEU

THR

GLY

14

TYR

PHE

ASP

ALA

ILE

ALA

ASP

PRO

ALA

GLU

15

VAL

ALA

SER

LYS

PRO

ALA

PRO

ASP

ILE

16

PHE

ILE

ALA

HIS

ALA

VAL

GLY

VAL

17

ALA

PRO

SER

GLU

SER

ILE

GLY

LEU

GLU

ASP

18

SER

GLN

ALA

GLY

ILE

GLN

ALA

ILE

LYS

ASP

19

SER

GLY

ALA

LEU

PRO

ILE

GLY

VAL

GLY

ARG

20

PRO

GLU

ASP

LEU

GLY

ASP

ILE

VAL

ILE

21

VAL

PRO

ASP

THR

SER

HIS

TYR

THR

LEU

GLU

22

PHE

LEU

LYS

GLU

VAL

TRP

LEU

GLN

LYS

GLN

23

LYS

Entity 2, G6P - C6 H13 O9 P - 260.136 Da.

1

G6P

Entity 3, Mg - Mg - 24.305 Da.

1

MG

Entity 4, ALF - Al F4 - 102.975 Da.

1

ALF

Samples:

sample_1: beta-phosphoglucomutase, [U-100% 13C; U-100% 15N], 1 mM; glucose 6-phosphate 10 mM; potassium HEPES buffer 50 mM; magnesium chloride 5 mM; sodium azide 2 mM; H2O 90%; D2O, [U-99% 2H], 10%; aluminium chloride 5 mM; sodium fluoride 20 mM

sample_2: beta-phosphoglucomutase, [U-100% 15N], 1 mM; glucose 6-phosphate 10 mM; potassium HEPES buffer 50 mM; magnesium chloride 5 mM; sodium azide 2 mM; H2O 100%; aluminium chloride 5 mM; sodium fluoride 20 mM

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D TROSY-HNCO	sample_1	isotropic	sample_conditions_1
3D TROSY HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D TROSY HNCA	sample_1	isotropic	sample_conditions_1
3D TROSY HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D TROSY HNCACB	sample_1	isotropic	sample_conditions_1
3D TROSY CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
1D 19F	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

Felix, Accelrys Software Inc. - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 500 MHz

BMRB	27174
UNP	P71447
AlphaFold	P71447