- PDB-1ji9: Solution structure of the alpha-domain of mouse metallothionein-3 -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 1ji9
Title
Solution structure of the alpha-domain of mouse metallothionein-3
Components
METALLOTHIONEIN-III
Keywords
METAL BINDING PROTEIN / 3-10 helix / Cd-S cluster / half turn / type II turn
Function / homology
Function and homology information
regulation of protein glycosylation / Metallothioneins bind metals / : / : / : / : / : / positive regulation of oxygen metabolic process / : / negative regulation of hydrogen peroxide catabolic process ...regulation of protein glycosylation / Metallothioneins bind metals / : / : / : / : / : / positive regulation of oxygen metabolic process / : / negative regulation of hydrogen peroxide catabolic process / : / regulation of response to food / : / positive regulation of lysosomal membrane permeability / cellular lipid catabolic process / negative regulation of oxidoreductase activity / astrocyte end-foot / zinc ion transport / leptin-mediated signaling pathway / negative regulation of cysteine-type endopeptidase activity / negative regulation of axon extension / astrocyte development / energy reserve metabolic process / detoxification of copper ion / intracellular zinc ion homeostasis / positive regulation of vascular endothelial growth factor receptor signaling pathway / cellular response to zinc ion / positive regulation of catalytic activity / protein kinase activator activity / cadmium ion binding / cysteine-type endopeptidase inhibitor activity involved in apoptotic process / cellular response to nitric oxide / negative regulation of reactive oxygen species metabolic process / cholesterol catabolic process / rough endoplasmic reticulum / inclusion body / cellular response to copper ion / cellular response to cadmium ion / ERK1 and ERK2 cascade / activation of protein kinase B activity / removal of superoxide radicals / negative regulation of autophagy / phosphatidylinositol 3-kinase/protein kinase B signal transduction / negative regulation of cysteine-type endopeptidase activity involved in apoptotic process / brain development / negative regulation of cell growth / negative regulation of neurogenesis / synaptic vesicle / cellular response to oxidative stress / cellular response to hypoxia / microtubule / mitochondrial outer membrane / response to oxidative stress / negative regulation of neuron apoptotic process / dendritic spine / postsynaptic density / positive regulation of ERK1 and ERK2 cascade / protein stabilization / response to hypoxia / ribosome / positive regulation of protein phosphorylation / copper ion binding / axon / negative regulation of DNA-templated transcription / positive regulation of gene expression / negative regulation of apoptotic process / positive regulation of DNA-templated transcription / perinuclear region of cytoplasm / extracellular space / zinc ion binding / nucleus / metal ion binding / plasma membrane / cytoplasm / cytosol Similarity search - Function
Mass: 112.411 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cd
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Experimental details
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Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D NOESY
1
2
1
2D TOCSY
2
3
1
1H-113Cd HMQC
NMR details
Text: This structure was determined using standard 2D homonuclear techniques and 2D 1H-113Cd HMQC spectroscopy.
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Sample preparation
Details
Contents: 1.6 mM mouse metallothionein-3 / Solvent system: 20 mM deuterated Tris-HCl buffer
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
20mM Tris-HCl
6.5
1atm
283K
2
20mM Tris-HCl
6.5
1atm
303K
Crystal grow
*PLUS
Method: other / Details: NMR
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NMR measurement
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Varian Unity INOVA
Varian
UnityINOVA
800
1
Varian Unity INOVA
Varian
UnityINOVA
600
2
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Processing
NMR software
Name
Version
Developer
Classification
X-PLOR
3.851
Brunger
structuresolution
X-PLOR
3.851
Brunger
refinement
Refinement
Method: HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING Software ordinal: 1 Details: A total of 377 NOE-derived distance constraints and 16 cadmium-to-cysteine connectivities were used in the structure calculations.
NMR representative
Selection criteria: minimized average structure
NMR ensemble
Conformer selection criteria: Minimized average structure / Conformers calculated total number: 50 / Conformers submitted total number: 1
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