BMRB Entry 6909

Name: 1H and 15N Chemical Shift Assignments for the Alpha-domain of Human Metallothionein-3
Published: 2007-02-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6909

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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 and 15N Chemical Shift Assignments for the Alpha-domain of Human Metallothionein-3

Deposition date:

2005-11-25

Original release date:

2007-02-06

Authors:

Wang, Hui; Zhang, Qi; Cai, Bin; Li, Hongyan; Sze, Kong-Hung; Huang, Zhong-Xian; Wu, Hou-Ming; Sun, Hongzhe

Citation:

Citation: Wang, Hui; Zhang, Qi; Cai, Bin; Li, Hongyan; Sze, Kong-Hung; Huang, Zhong-Xian; Wu, Hou-Ming; Sun, Hongzhe. "Solution structure and dynamics of human metallothionein-3 (MT-3)" FEBS Lett. 580, 795-800 (2006).
PubMed: 16413543

Assembly members:

Assembly members:
human MT-3, polymer, 68 residues, 6923 Da.
CD, non-polymer, 112.411 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Saccharomyces Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Vector: pGEX4T2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
human MT-3: MDPETCPCPSGGSCTCADSC KCEGCKCTSCKKSCCSCCPA ECEKCAKDCVCKGGEAAEAE AEKCSCCQ

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
15N chemical shifts	33
1H chemical shifts	202

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Human Metallothionein-3	1
2	Cadmium (II) ion, I	2
3	Cadmium (II) ion, II	2
4	Cadmium (II) ion, III	2
5	Cadmium (II) ion, IV	2
6	Cadmium (II) ion, V	2
7	Cadmium (II) ion, VI	2
8	Cadmium (II) ion, VII	2

Entities:

Entity 1, Human Metallothionein-3 68 residues - 6923 Da.

1

MET

ASP

PRO

GLU

THR

CYS

PRO

CYS

PRO

SER

2

GLY

SER

CYS

THR

CYS

ALA

ASP

SER

CYS

3

LYS

CYS

GLU

GLY

CYS

LYS

CYS

THR

SER

CYS

4

LYS

SER

CYS

SER

CYS

PRO

ALA

5

GLU

CYS

GLU

LYS

CYS

ALA

LYS

ASP

CYS

VAL

6

CYS

LYS

GLY

GLU

ALA

GLU

ALA

GLU

7

ALA

GLU

LYS

CYS

SER

CYS

GLN

Entity 2, Cadmium (II) ion, I - Cd - 112.411 Da.

1

CD

Samples:

sample_1: human MT-3, [U-15N], 2 mM; Phosphate Na 15 mM

conditions_1: pH: 7.3; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D_1H-15N_HSQC	sample_1	not available	conditions_1
2D_15N-decoupled_TOCSY	sample_1	not available	conditions_1
2D_15N-decoupled_NOESY	sample_1	not available	conditions_1
3D_1H-1H-15N-TOCSY	sample_1	not available	conditions_1
3D_1H-1H-15N-NOESY	sample_1	not available	conditions_1

Software:

SPARKY v3.0 - peak assignments

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