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- PDB-4uwm: Type II Baeyer-Villiger monooxygenase.The oxygenating constituent... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4uwm | ||||||
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Title | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | ||||||
![]() | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE | ||||||
![]() | OXIDOREDUCTASE / BIOCATALYSIS | ||||||
Function / homology | ![]() 3,6-diketocamphane 1,2-monooxygenase / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Isupov, M.N. / Schroeder, E. / Gibson, R.P. / Beecher, J. / Donadio, G. / Saneei, V. / Dcunha, S. / McGhie, E.J. / Sayer, C. / Davenport, C.F. ...Isupov, M.N. / Schroeder, E. / Gibson, R.P. / Beecher, J. / Donadio, G. / Saneei, V. / Dcunha, S. / McGhie, E.J. / Sayer, C. / Davenport, C.F. / Lau, P.C. / Hasegawa, Y. / Iwaki, H. / Kadow, M. / Loschinski, K. / Bornscheuer, U.T. / Bourenkov, G. / Littlechild, J.A. | ||||||
![]() | ![]() Title: The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase. Authors: Isupov, M.N. / Schroder, E. / Gibson, R.P. / Beecher, J. / Donadio, G. / Saneei, V. / Dcunha, S.A. / Mcghie, E.J. / Sayer, C. / Davenport, C.F. / Lau, P.C. / Hasegawa, Y. / Iwaki, H. / ...Authors: Isupov, M.N. / Schroder, E. / Gibson, R.P. / Beecher, J. / Donadio, G. / Saneei, V. / Dcunha, S.A. / Mcghie, E.J. / Sayer, C. / Davenport, C.F. / Lau, P.C. / Hasegawa, Y. / Iwaki, H. / Kadow, M. / Balke, K. / Bornscheuer, U.T. / Bourenkov, G. / Littlechild, J.A. #1: Journal: Acta Crystallogr.,Sect.D / Year: 1998 Title: Crystallization and Preliminary X-Ray Diffraction Studies of the Oxygenating Subunit of 3,6- Diketocamphane Monooxygenase from Pseudomonas Putida. Authors: Mcghie, E.J. / Isupov, M.N. / Schroder, E. / Littlechild, J.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 183.6 KB | Display | ![]() |
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PDB format | ![]() | 147.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 38.7 KB | Display | |
Data in CIF | ![]() | 56.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5aecC ![]() 2wgk S: Starting model for refinement C: citing same article ( |
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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: (-0.99819, 0.06005, -0.00383), Vector: |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 42362.836 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: THE OXYGENATING CONSTITUENT OF 3,6- DIKETOCAMPHANE MONOOXYGENASE FROM CAM PLASMID OF PSEUDOMONAS PUTIDA Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: D7UER1, Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen; With NADH or NADPH as one donor, and incorporation of one atom of oxygen into the other donor |
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-Non-polymers , 5 types, 626 molecules ![](data/chem/img/FMN.gif)
![](data/chem/img/PG4.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PG4.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-PEG / #5: Chemical | ChemComp-PGE / | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.67 Å3/Da / Density % sol: 54 % / Description: NONE |
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Crystal grow | pH: 7 / Details: 100 MM HEPES PH 7.0 20 % PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS / Detector: PIXEL / Date: Jun 28, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→55.57 Å / Num. obs: 71800 / % possible obs: 99.5 % / Redundancy: 6.7 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 14.9 |
Reflection shell | Resolution: 1.9→1.95 Å / Redundancy: 6.8 % / Rmerge(I) obs: 0.94 / Mean I/σ(I) obs: 2 / % possible all: 97.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2WGK ![]() 2wgk Resolution: 1.9→74.93 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.941 / SU B: 3.599 / SU ML: 0.103 / Cross valid method: THROUGHOUT / ESU R: 0.149 / ESU R Free: 0.138 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 34.086 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→74.93 Å
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Refine LS restraints |
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