+Open data
-Basic information
Entry | Database: PDB / ID: 1qjk | ||||||
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Title | Metallothionein MTA from sea urchin (alpha domain) | ||||||
Components | METALLOTHIONEIN | ||||||
Keywords | METALLOTHIONEIN / METAL-BINDING / DETOXIFICATION / RADICAL SCAVENGER | ||||||
Function / homology | Metallothionein, family 4, echinoidea / Metallothionein, family 4, echinoidea/annelida / Metallothionein / Metallothionein domain superfamily / metal ion binding / : / Metallothionein-A Function and homology information | ||||||
Biological species | STRONGYLOCENTROTUS PURPURATUS (purple sea urchin) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Model type details | MINIMIZED AVERAGE | ||||||
Authors | Riek, R. / Precheur, B. / Wang, Y. / Mackay, E.A. / Wider, G. / Guntert, P. / Liu, A. / Kaegi, J.H.R. / Wuthrich, K. | ||||||
Citation | Journal: J. Mol. Biol. / Year: 1999 Title: NMR structure of the sea urchin (Strongylocentrotus purpuratus) metallothionein MTA. Authors: Riek, R. / Precheur, B. / Wang, Y. / Mackay, E.A. / Wider, G. / Guntert, P. / Liu, A. / Kagi, J.H. / Wuthrich, K. #1: Journal: J.Mol.Biol. / Year: 1990 Title: Three-Dimensional Structure of Human [113Cd7]-Metallothionein-2 in Solution Determined by Nuclear Magnetic Resonance Spectroscopy Authors: Messerle, B.A. / Schaffer, A. / Vasak, M. / Kaegi, J.H.R. / Wuthrich, K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qjk.cif.gz | 16.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qjk.ent.gz | 11.6 KB | Display | PDB format |
PDBx/mmJSON format | 1qjk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qj/1qjk ftp://data.pdbj.org/pub/pdb/validation_reports/qj/1qjk | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3715.345 Da / Num. of mol.: 1 / Fragment: ALPHA DOMAIN Source method: isolated from a genetically manipulated source Details: CADMIUM 4-METAL CLUSTER Source: (gene. exp.) STRONGYLOCENTROTUS PURPURATUS (purple sea urchin) Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P04734 |
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#2: Chemical | ChemComp-CD / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 90% WATER/10% D2O |
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Sample conditions | Ionic strength: 50 MM NACL / pH: 7.0 / Pressure: 1 atm / Temperature: 288 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||
NMR ensemble | Conformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 20 / Conformers submitted total number: 1 |