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Open data
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Basic information
Entry | Database: PDB / ID: 1mro | ||||||
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Title | METHYL-COENZYME M REDUCTASE | ||||||
![]() | (METHYL-COENZYME M ...) x 3 | ||||||
![]() | METHANOGENESIS / BIOLOGICAL METHANOGENESIS / NI-ENZYME / OXIDOREDUCTASE | ||||||
Function / homology | ![]() coenzyme-B sulfoethylthiotransferase / coenzyme-B sulfoethylthiotransferase activity / methanogenesis / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ermler, U. / Grabarse, W. | ||||||
![]() | ![]() Title: Crystal structure of methyl-coenzyme M reductase: the key enzyme of biological methane formation. Authors: Ermler, U. / Grabarse, W. / Shima, S. / Goubeaud, M. / Thauer, R.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 519.9 KB | Display | ![]() |
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PDB format | ![]() | 428.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 712.3 KB | Display | ![]() |
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Full document | ![]() | 740.5 KB | Display | |
Data in XML | ![]() | 51.5 KB | Display | |
Data in CIF | ![]() | 84.9 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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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.6268, -0.7779, 0.0458), Vector: |
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Components
-METHYL-COENZYME M ... , 3 types, 6 molecules ADBECF
#1: Protein | Mass: 60379.289 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: MCR-OX-SILENT STATE, ENZYME-SUBSTRATE COMPLEX Source: (natural) ![]() ![]() Cellular location: CYTOPLASM / Species: Methanothermobacter marburgensis / Strain: MARBURG References: UniProt: P11558, Oxidoreductases; Acting on a sulfur group of donors #2: Protein | Mass: 47148.477 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: MCR-OX-SILENT STATE, ENZYME-SUBSTRATE COMPLEX Source: (natural) ![]() ![]() Cellular location: CYTOPLASM / Species: Methanothermobacter marburgensis / Strain: MARBURG References: UniProt: P11560, Oxidoreductases; Acting on a sulfur group of donors #3: Protein | Mass: 28536.926 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: MCR-OX-SILENT STATE, ENZYME-SUBSTRATE COMPLEX Source: (natural) ![]() ![]() Cellular location: CYTOPLASM / Species: Methanothermobacter marburgensis / Strain: MARBURG References: UniProt: P11562, Oxidoreductases; Acting on a sulfur group of donors |
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-Non-polymers , 7 types, 1726 molecules ![](data/chem/img/ZN.gif)
![](data/chem/img/F43.gif)
![](data/chem/img/TP7.gif)
![](data/chem/img/COM.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/F43.gif)
![](data/chem/img/TP7.gif)
![](data/chem/img/COM.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-ZN / | ||||||||||
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#5: Chemical | #6: Chemical | #7: Chemical | #8: Chemical | ChemComp-GOL / #9: Chemical | #10: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.9 Å3/Da / Density % sol: 31 % |
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Crystal grow | pH: 7.5 Details: 25% PEG 400 0.2 M NACL 20 MG/ML FINAL PROTEIN CONC 0.2 M MGCL 01.M HEPES PH 7.5 |
Crystal | *PLUS |
Crystal grow | *PLUS Method: unknown |
Components of the solutions | *PLUS Conc.: 25 % / Common name: PEG400 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Apr 1, 1997 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.16→30 Å / Num. obs: 735767 / % possible obs: 93 % / Redundancy: 3 % / Biso Wilson estimate: 10.1 Å2 / Rmerge(I) obs: 0.066 / Rsym value: 0.07 / Net I/σ(I): 18 |
Reflection shell | Resolution: 1.16→1.23 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.33 / Mean I/σ(I) obs: 3 / Rsym value: 0.34 / % possible all: 89 |
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Processing
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Refinement | Method to determine structure: ![]()
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Displacement parameters | Biso mean: 17.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.16→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.16→1.23 Å / Rfactor Rfree error: 0.009 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.3 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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