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- PDB-4mt2: COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE X-RAY CRYSTAL ST... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4mt2 | |||||||||
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Title | COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE X-RAY CRYSTAL STRUCTURE OF RAT METALLOTHIONEIN-2 | |||||||||
![]() | METALLOTHIONEIN ISOFORM II | |||||||||
![]() | METALLOTHIONEIN | |||||||||
Function / homology | ![]() Metallothioneins bind metals / negative regulation of growth / detoxification of copper ion / intracellular zinc ion homeostasis / cellular response to zinc ion / cellular response to copper ion / cellular response to cadmium ion / zinc ion binding / nucleus / metal ion binding / cytoplasm Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() | |||||||||
![]() | Robbins, A.H. / Stout, C.D. | |||||||||
![]() | ![]() Title: Comparison of the NMR solution structure and the x-ray crystal structure of rat metallothionein-2. Authors: Braun, W. / Vasak, M. / Robbins, A.H. / Stout, C.D. / Wagner, G. / Kagi, J.H. / Wuthrich, K. #1: ![]() Title: Refined Crystal Structure of Cd, Zn Metallothionein at 2.0 Angstroms Resolution Authors: Robbins, A.H. / Mcree, D.E. / Collett, M.Williamson S.A. / Xoung, N.H. / Furey, W.F. / Wang, B.C. / Stout, C.D. #2: ![]() Title: Crystal Structure Ofcd,Zn Metallothionein Authors: Furey, W.F. / Robbins, A.H. / Clancy, L.L. / Winge, D.R. / Wang, B.-C. / Stout, C.D. #3: ![]() Title: Single Crystals of Cadmium, Zinc Metallothionein Authors: Melis, K.A. / Carter, D.C. / Stout, C.D. / Winge, D.R. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 21.6 KB | Display | ![]() |
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PDB format | ![]() | 16.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 359.9 KB | Display | ![]() |
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Full document | ![]() | 359.9 KB | Display | |
Data in XML | ![]() | 2.7 KB | Display | |
Data in CIF | ![]() | 3.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 6179.380 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||||||||
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#2: Chemical | ChemComp-CD / #3: Chemical | #4: Chemical | ChemComp-NA / | #5: Water | ChemComp-HOH / | Compound details | TURN *T2* HAS A LEFT HANDED ALPHA CONFORMATI | Nonpolymer details | THE NUMBERING CONVENTION FOR THE FIVE CADMIUM ATOMS FOLLOWS THOSE USED IN THE NMR LITERATURE (SEE M. ...THE NUMBERING CONVENTION | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.33 Å3/Da / Density % sol: 47.1 % | |||||||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 22 ℃ / pH: 7.5 / Method: vapor diffusion, hanging drop / Details: Melis, K.A., (1983) J.Biol.Chem., 258, 6255. | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
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Processing
Software |
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Refinement | Resolution: 2→5 Å / Rfactor Rwork: 0.197 / σ(F): 0 Details: THE STRUCTURE WAS SOLVED BY LOCATING THE FIVE CADMIUM ATOMS BY DIRECT METHODS. THE STARTING MODEL WAS A FIT OF THE CONSENSUS DOMAINS FROM THE 2-D NMR MODEL INTO AN ELECTRON DENSITY MAP ...Details: THE STRUCTURE WAS SOLVED BY LOCATING THE FIVE CADMIUM ATOMS BY DIRECT METHODS. THE STARTING MODEL WAS A FIT OF THE CONSENSUS DOMAINS FROM THE 2-D NMR MODEL INTO AN ELECTRON DENSITY MAP GENERATED FORM THE LOCATION OF THE CADMIUM POSITIONS. THE ANOMALOUS SCATTERING COMPONENTS OF CADMIUM ZINC AND SULFUR WERE INCLUDED IN THE REFINEMENT. DUE TO WEAK ELECTRON DENSITY, THE POSITIONS OF RESIDUES 1-2, 51-56, AND THE C-TERMINAL ALANINE SHOULD BE TREATED AS TENTATIVE. THE SIDE CHAINS OF LYSINES 20 AND 22 ARE ALSO UNRELIABLE. | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→5 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||
Refinement | *PLUS Rfactor Rwork: 0.197 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS | ||||||||||||
Refine LS restraints | *PLUS Type: x_angle_d / Dev ideal: 3.5 |