BMRB Entry 17249

Name: 1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase
Published: 2011-01-18

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PDB ID: 2ml2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17249
MolProbity Validation Chart

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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 resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase

Deposition date:

2010-10-12

Original release date:

2011-01-18

Authors:

Andressen, Trygve; Buchinger, Edith; Skjaak-Break, Gudmund; Valla, Svein; Aachmann, Finn

Citation:

Citation: Andreassen, Trygve; Buchinger, Edith; Skjak-Braek, Gudmund; Valla, Svein; Aachmann, Finn. "1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase." Biomol. NMR Assignments 5, 147-149 (2011).
PubMed: 21188559

Assembly members:

Assembly members:
AlgE6R2, polymer, 161 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: Azotobacter vinelandii Taxonomy ID: 354 Superkingdom: Bacteria Kingdom: not available Genus/species: Azotobacter vinelandii

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pFA12

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AlgE6R2: DPSAEAQPIVGSDLDDQLHG TLLGEEISGGGGADQLYGYG GGDLLDGGAGRDRLTGGEGA DTFRFALREDSQRSAAGTFS DLILDFDPTQDKLDVSALGF TGLGNGYAGTLAVSVSDDGT RTYLKSYETDAEGRSFEVSL QGNHAAALSADNILFATPVP V

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	606
15N chemical shifts	160
1H chemical shifts	941

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	R2	1
2	calcium ion	2

Entities:

Entity 1, R2 161 residues - Formula weight is not available

1

ASP

PRO

SER

ALA

GLU

ALA

GLN

PRO

ILE

VAL

2

GLY

SER

ASP

LEU

ASP

GLN

LEU

HIS

GLY

3

THR

LEU

GLY

GLU

ILE

SER

GLY

4

GLY

ALA

ASP

GLN

LEU

TYR

GLY

TYR

GLY

5

GLY

ASP

LEU

ASP

GLY

ALA

GLY

6

ARG

ASP

ARG

LEU

THR

GLY

GLU

GLY

ALA

7

ASP

THR

PHE

ARG

PHE

ALA

LEU

ARG

GLU

ASP

8

SER

GLN

ARG

SER

ALA

GLY

THR

PHE

SER

9

ASP

LEU

ILE

LEU

ASP

PHE

ASP

PRO

THR

GLN

10

ASP

LYS

LEU

ASP

VAL

SER

ALA

LEU

GLY

PHE

11

THR

GLY

LEU

GLY

ASN

GLY

TYR

ALA

GLY

THR

12

LEU

ALA

VAL

SER

VAL

SER

ASP

GLY

THR

13

ARG

THR

TYR

LEU

LYS

SER

TYR

GLU

THR

ASP

14

ALA

GLU

GLY

ARG

SER

PHE

GLU

VAL

SER

LEU

15

GLN

GLY

ASN

HIS

ALA

LEU

SER

ALA

16

ASP

ASN

ILE

LEU

PHE

ALA

THR

PRO

VAL

PRO

17

VAL

Entity 2, calcium ion - Ca - 40.078 Da.

1

CA

Samples:

AlgE6R2_H2O: AlgE6R2, [U-98% 13C; U-98% 15N], 1 – 1.2 mM; calcium chloride 25 ± 0.1 mM; HEPES 20 ± 0.1 mM; H2O 90%; D2O 10%

AlgE6R2_D2O: AlgE6R2, [U-98% 13C; U-98% 15N], 1 – 1.2 mM; calcium chloride 25 ± 0.1 mM; HEPES 20 ± 0.1 mM; D2O 100%

nonAlgE6R2_D2O: AlgE6R21 – 1.2 mM; calcium chloride 25 ± 0.1 mM; HEPES 20 ± 0.1 mM; D2O 100%

sample_conditions_1: ionic strength: 0.165 M; pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	AlgE6R2_H2O	isotropic	sample_conditions_1
2D 1H-13C HSQC	AlgE6R2_D2O	isotropic	sample_conditions_1
3D CBCA(CO)NH	AlgE6R2_H2O	isotropic	sample_conditions_1
3D HNCO	AlgE6R2_H2O	isotropic	sample_conditions_1
2D 1H-1H TOCSY	nonAlgE6R2_D2O	isotropic	sample_conditions_1
2D 1H-1H COSY	nonAlgE6R2_D2O	isotropic	sample_conditions_1
2D 1H-1H TOCSY	nonAlgE6R2_D2O	isotropic	sample_conditions_1
3D HNCA	AlgE6R2_H2O	isotropic	sample_conditions_1
3D HBHA(CO)NH	AlgE6R2_H2O	isotropic	sample_conditions_1
3D HN(CO)CA	AlgE6R2_H2O	isotropic	sample_conditions_1
3D HCCH-TOCSY	AlgE6R2_D2O	isotropic	sample_conditions_1
3D HCCH-COSY	AlgE6R2_D2O	isotropic	sample_conditions_1
3D HBHANH	AlgE6R2_H2O	isotropic	sample_conditions_1
3D CBCANH	AlgE6R2_H2O	isotropic	sample_conditions_1
3D HN(CA)CO	AlgE6R2_H2O	isotropic	sample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

CARA v1.4.1; 1.5.2, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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