BMRB Entry 34289

Name: Cadmium(II) form of A44H mutant of shortened metallothionein from Pseudomonas fluorescens Q2-87 (residues 1-52)
Published: 2018-09-13

Click here to enlarge.

PDB ID: 6gv7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34289
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Cadmium(II) form of A44H mutant of shortened metallothionein from Pseudomonas fluorescens Q2-87 (residues 1-52)

Deposition date:

2018-06-20

Original release date:

2018-09-13

Authors:

Habjanic, J.; Zerbe, O.; Freisinger, E.

Citation:

Citation: Habjanic, J.; Zerbe, O.; Freisinger, E.. "A histidine-rich Pseudomonas metallothionein with a disordered tail displays higher binding capacity for cadmium than zinc." Metallomics 10, 1415-1429 (2018).
PubMed: 30191219

Assembly members:

Assembly members:
entity_1, polymer, 52 residues, 5834.395 Da.
entity_CD, non-polymer, 112.411 Da.

Natural source:

Natural source: Common Name: Pseudomonas fluorescens Q2-87 Taxonomy ID: 1038922 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas fluorescens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pGEX-4T-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: NELRCGCPDCHCKVDPERVF NHDGEAYCSQACAEQHPNGE PCPHPDCHCERS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	203
15N chemical shifts	53
1H chemical shifts	297

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2, 1	2
3	entity_2, 2	2
4	entity_2, 3	2
5	entity_2, 4	2

Entities:

Entity 1, entity_1 52 residues - 5834.395 Da.

1

ASN

GLU

LEU

ARG

CYS

GLY

CYS

PRO

ASP

CYS

2

HIS

CYS

LYS

VAL

ASP

PRO

GLU

ARG

VAL

PHE

3

ASN

HIS

ASP

GLY

GLU

ALA

TYR

CYS

SER

GLN

4

ALA

CYS

ALA

GLU

GLN

HIS

PRO

ASN

GLY

GLU

5

PRO

CYS

PRO

HIS

PRO

ASP

CYS

HIS

CYS

GLU

6

ARG

SER

Entity 2, entity_2, 1 - Cd - 112.411 Da.

1

CD

Samples:

sample_1: metallothionein, [U-13C; U-15N], 0.5 ± 0.1 mM; CADMIUM ION 2 ± 0.1 mM; TRIS, [U-2H], 50 ± 1 mM; sodium chloride 50 ± 1 mM

sample_2: metallothionein 1 ± 0.1 mM; CADMIUM ION, [U-113Cd], 4 ± 0.1 mM; TRIS, [U-2H], 50 ± 1 mM; sodium chloride 50 ± 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 300 K

sample_conditions_2: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 320 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	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 HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
1D 113Cd	sample_2	isotropic	sample_conditions_2
2D 1H-113Cd HSQC-TOCSY	sample_2	isotropic	sample_conditions_2

Software:

TOPSPIN v4.0, Bruker Biospin - collection

TOPSPIN v3.5, Bruker Biospin - processing

CARA v1.9.1.5, Keller and Wuthrich - chemical shift assignment

UNIO' 10 v2.02, Hermann - peak picking

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

X-PLOR NIH v4.0, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker AvanceII 500 MHz
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