BMRB Entry 16409

Name: Backbone 1H, 15N, and 13C assignments for beta phosphoglucomutase in a ternary complex with alpha-galactose 1-phosphate and MgF3-
Published: 2009-11-16

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16409

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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:

Backbone 1H, 15N, and 13C assignments for beta phosphoglucomutase in a ternary complex with alpha-galactose 1-phosphate and MgF3-

Deposition date:

2009-07-16

Original release date:

2009-11-16

Authors:

Baxter, Nicola; Waltho, Jonathan

Citation:

Citation: Baxter, Nicola; Hounslow, Andrea; Bowler, Matthew; Williams, Nicholas; Blackburn, G. Michael; Waltho, Jonathan. "MgF(3)(-) and alpha-Galactose 1-Phosphate in the Active Site of beta-Phosphoglucomutase Form a Transition State Analogue of Phosphoryl Transfer." J. Am. Chem. Soc. 131, 16334-16335 (2009).
PubMed: 19852484

Assembly members:

Assembly members:
beta_phosphoglucomutase, polymer, 221 residues, Formula weight is not available
GL1, non-polymer, 260.136 Da.
MGF, non-polymer, 81.300 Da.
MG, non-polymer, 24.305 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: MFKAVLFDLDGVITDTAEYH 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	415
15N chemical shifts	210
19F chemical shifts	3
1H chemical shifts	210

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	beta phosphoglucomutase	1
2	alpha-galactose 1-phosphate	2
3	MgF3-	3
4	Mg	4

Entities:

Entity 1, beta phosphoglucomutase 221 residues - Formula weight is not available

1

MET

PHE

LYS

ALA

VAL

LEU

PHE

ASP

LEU

ASP

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, alpha-galactose 1-phosphate - C6 H13 O9 P - 260.136 Da.

1

GL1

Entity 3, MgF3- - F3 Mg - 81.300 Da.

1

MGF

Entity 4, Mg - Mg - 24.305 Da.

1

MG

Samples:

sample_1: beta phosphoglucomutase, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; alpha-galactose 1-phosphate 50 mM; MgCl2 5 mM; NH4F 10 mM; sodium azide 1 mM; protease inhibitor 1 times; potassium HEPES 50 mM; H2O 90%; D2O 10%

sample_2: beta phosphoglucomutase 0.5 mM; alpha-galactose 1-phosphate 50 mM; MgCl2 5 mM; NH4F 10 mM; sodium azide 1 mM; protease inhibitor 1 times; potassium HEPES 50 mM; H2O 100%

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

sample_conditions_2: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1
3D TROSY HNCO	sample_1	isotropic	sample_conditions_1
3D TROSY HN(COCA)CB	sample_1	isotropic	sample_conditions_1
19F 1D	sample_2	isotropic	sample_conditions_2

Software:

TOPSPIN, Bruker Biospin - structure solution

FELIX, Accelrys Software Inc. - chemical shift assignment, data analysis, peak picking, processing

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 500 MHz

PDB	1z4o 2wf5 1o08 1z4n 1o03 1LVH 1O03 1O08 1Z4N 1Z4O 1ZOL 2WF5 2WF6 2WF7 2WF8 2WF9 2WFA 2WHE 3FM9 3ZI4 4C4R 4C4S 4C4T
BMRB	7235 15467 7234 15467 17851 17852
DBJ	BAL50396 GAM81375
EMBL	CAA94734 CDG03643 CDI46177
GB	AAK04527 ADA64250 ADZ63078 AEE43918 AGY43735
REF	NP_266585 WP_003131530 WP_010905331 WP_012897250 WP_021469610
SP	P71447
AlphaFold	P71447