BMRB Entry 11249

Name: Assignment of holo form GrxS14 from Populus trichocarpa
Published: 2010-11-29

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11249

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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:

Assignment of holo form GrxS14 from Populus trichocarpa

Deposition date:

2010-07-28

Original release date:

2010-11-29

Authors:

Wang, Lei; Xia, Bin

Citation:

Citation: Wang, Lei; Ren, Xiaobai; Li, Yifei; Rouhier, Nicolas; Jacquot, Jean-Pierre; Jin, Changwen; Xia, Bin. "1H, 13C, and 15N resonance assignments of reduced GrxS14 from Populus tremula tremuloides." Biomol. NMR Assignments 5, 121-124 (2011).
PubMed: 21086077

Assembly members:

Assembly members:
apo GrxS14, polymer, 109 residues, 12184.04 Da.
GSH, non-polymer, 307.323 Da.
FES, non-polymer, 175.820 Da.

Natural source:

Natural source: Common Name: black cottonwood Taxonomy ID: 3694 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Populus trichocarpa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
apo GrxS14: MALTPALKTTLDKVVTSHKV VLFMKGTKDFPQCGFSQTVV QILKSLNAPFESVNILENEL LRQGLKEYSSWPTFPQLYID GEFFGGCDITVEAYKSGELQ EQVEKAMCS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	409
15N chemical shifts	97
1H chemical shifts	690

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	apo GrxS14 no.1	1
2	apo GrxS14 no.2	1
3	glutathione no.1	2
4	glutathione no.2	2
5	[2Fe-2S] cluster	3

Entities:

Entity 1, apo GrxS14 no.1 109 residues - 12184.04 Da.

1

MET

ALA

LEU

THR

PRO

ALA

LEU

LYS

THR

2

LEU

ASP

LYS

VAL

THR

SER

HIS

LYS

VAL

3

VAL

LEU

PHE

MET

LYS

GLY

THR

LYS

ASP

PHE

4

PRO

GLN

CYS

GLY

PHE

SER

GLN

THR

VAL

5

GLN

ILE

LEU

LYS

SER

LEU

ASN

ALA

PRO

PHE

6

GLU

SER

VAL

ASN

ILE

LEU

GLU

ASN

GLU

LEU

7

LEU

ARG

GLN

GLY

LEU

LYS

GLU

TYR

SER

8

TRP

PRO

THR

PHE

PRO

GLN

LEU

TYR

ILE

ASP

9

GLY

GLU

PHE

GLY

CYS

ASP

ILE

THR

10

VAL

GLU

ALA

TYR

LYS

SER

GLY

GLU

LEU

GLN

11

GLU

GLN

VAL

GLU

LYS

ALA

MET

CYS

SER

Entity 2, glutathione no.1 - C10 H17 N3 O6 S - 307.323 Da.

1

GSH

Entity 3, [2Fe-2S] cluster - Fe2 S2 - 175.820 Da.

1

FES

Samples:

sample_1: holo GrxS14, [U-13C; U-15N], 1 mM; glutathione 20 mM; TRIS 30 mM; sodium chloride 50 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 80 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v2.1, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5, Johnson, One Moon Scientific - data analysis

xwinnmr v3.5, Bruker Biospin - collection

TOPSPIN v2.1, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 500 MHz

PDB	2LKU
GB	EEE98719
REF	XP_002320404 XP_011033719 XP_011033720