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- PDB-1uob: Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate a... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1uob | ||||||
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Title | Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and penicillin G | ||||||
![]() | DEACETOXYCEPHALOSPORIN C SYNTHETASE | ||||||
![]() | OXIDOREDUCTASE / ANTIBIOTIC BIOSYNTHESIS | ||||||
Function / homology | ![]() deacetoxycephalosporin-C synthase / deacetoxycephalosporin-C synthase activity / L-ascorbic acid binding / antibiotic biosynthetic process / iron ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Valegard, K. / Terwisscha van Scheltinga, A.C. / Dubus, A. / Oster, L.M. / Rhangino, G. / Hajdu, J. / Andersson, I. | ||||||
![]() | ![]() Title: The Structural Basis of Cephalosporin Formation in a Mononuclear Ferrous Enzyme Authors: Valegard, K. / Terwisscha van Scheltinga, A.C. / Dubus, A. / Ranghino, G. / Oster, L.M. / Hajdu, J. / Andersson, I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 76.7 KB | Display | ![]() |
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PDB format | ![]() | 55.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 744.3 KB | Display | ![]() |
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Full document | ![]() | 755.3 KB | Display | |
Data in XML | ![]() | 16.2 KB | Display | |
Data in CIF | ![]() | 22.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1unbC ![]() 1uo9C ![]() 1uofC ![]() 1uogC ![]() 1rxfS 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 34591.641 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P18548, deacetoxycephalosporin-C synthase |
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#2: Chemical | ChemComp-FE2 / |
#3: Chemical | ChemComp-PNN / |
#4: Chemical | ChemComp-AKG / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45.65 % Description: THE DATA WERE COLLECTED FROM A MEROHEDRALLY TWINNED CRYSTAL | ||||||||||||||||||||
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Crystal grow | pH: 7.5 Details: 1.75M AMMONIUM SULPHATE, 5MM 2-OXOGLUTARATE,0.1M HEPES PH7.5, pH 7.50 | ||||||||||||||||||||
Crystal grow | *PLUS Method: unknown / Details: Valegard, K., (1998) Nature, 394, 805. / PH range low: 7.5 / PH range high: 7 | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Apr 15, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.092 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→56.8 Å / Num. obs: 30873 / % possible obs: 92.6 % / Redundancy: 4.5 % / Rmerge(I) obs: 0.085 |
Reflection shell | Resolution: 1.7→1.76 Å / Rmerge(I) obs: 0.231 / % possible all: 99 |
Reflection | *PLUS Highest resolution: 1.7 Å / Num. measured all: 216411 / Rmerge(I) obs: 0.087 |
Reflection shell | *PLUS % possible obs: 99 % / Rmerge(I) obs: 0.231 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1RXF Resolution: 1.7→56.8 Å / SU B: 2.404 / SU ML: 0.081 / Cross valid method: THROUGHOUT / ESU R: 0.122 / ESU R Free: 0.125 Details: THE RESIDUES MISSING IN THE PDB ENTRY (80-96,168-177 AND 310-311) ARE DISORDERED, AND THEREFORE OMITTED FROM THE MODEL
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Displacement parameters | Biso mean: 32.202 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→56.8 Å
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Refinement | *PLUS Highest resolution: 1.7 Å / Rfactor Rfree: 0.24 / Rfactor Rwork: 0.188 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS |