BMRB Entry 34749

Name: Domain 2 of zinc-loaded Caenorhabditis elegans MTL-1
Published: 2024-01-11

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PDB ID: 8aq9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34749
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:

Domain 2 of zinc-loaded Caenorhabditis elegans MTL-1

Deposition date:

2022-08-11

Original release date:

2024-01-11

Authors:

Leszczyszyn, O.; Sturzenbaum, S.; Blindauer, C.

Citation:

Citation: Essig, Y.; Leszczyszyn, O.; Almutairi, N.; Harrison-Smith, A.; Blease, A.; Zeitoun-Ghandour, S.; Webb, S.; Blindauer, C.; Sturzenbaum, S.. "Metallothionein-mediated metal trafficking in the nematode C. elegans: dissection of structural and functional differentiation" .

Assembly members:

Assembly members:
entity_1, polymer, 74 residues, 7976.208 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: C. elegans Taxonomy ID: 6239 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Caenorhabditis elegans

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ACKCDCKNKQCKCGDKCECS GDKCCEKYCCEEASEKKCCP AGCKGDCKCANCHCAEQKQC GDKTHQHQGTAAAH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	44
15N chemical shifts	44
1H chemical shifts	233

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	2
3	unit_3	2
4	unit_4	2
5	unit_5	2

Entities:

Entity 1, unit_1 74 residues - 7976.208 Da.

1

ALA

CYS

LYS

CYS

ASP

CYS

LYS

ASN

LYS

GLN

2

CYS

LYS

CYS

GLY

ASP

LYS

CYS

GLU

CYS

SER

3

GLY

ASP

LYS

CYS

GLU

LYS

TYR

CYS

4

GLU

ALA

SER

GLU

LYS

CYS

PRO

5

ALA

GLY

CYS

LYS

GLY

ASP

CYS

LYS

CYS

ALA

6

ASN

CYS

HIS

CYS

ALA

GLU

GLN

LYS

GLN

CYS

7

GLY

ASP

LYS

THR

HIS

GLN

HIS

GLN

GLY

THR

8

ALA

HIS

Entity 2, unit_2 - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: Zn7MTL-1 1 mM; ammonium hydrogen carbonate 20 mM; sodium chloride, nat, 20 mM

sample_2: Zn7MTL-1, [U-13C; U-15N], 0.5 mM; ammonium hydrogen carbonate 25 mM; sodium chloride 25 mM

sample_conditions_1: ionic strength: 40 mM; pH: 7.3 pH*; pressure: 1 bar; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1

Software:

TopSpin v2.1, Bruker Biospin - collection

Sparky v3.114, Goddard - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

Bruker AVANCE 700 MHz

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