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- PDB-1upa: Carboxyethylarginine synthase from Streptomyces clavuligerus (SeM... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1upa | ||||||
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Title | Carboxyethylarginine synthase from Streptomyces clavuligerus (SeMet structure) | ||||||
![]() | CARBOXYETHYLARGININE SYNTHASE | ||||||
![]() | SYNTHASE / CLAVULANIC ACID / ANTIBIOTIC / LACTAMASE | ||||||
Function / homology | ![]() N2-(2-carboxyethyl)arginine synthase / N2-(2-carboxyethyl)arginine synthase activity / acetolactate synthase complex / acetolactate synthase activity / valine biosynthetic process / isoleucine biosynthetic process / thiamine pyrophosphate binding / flavin adenine dinucleotide binding / magnesium ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Caines, M.E.C. / Elkins, J.M. / Hewitson, K.S. / Schofield, C.J. | ||||||
![]() | ![]() Title: Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway Authors: Caines, M.E.C. / Elkins, J.M. / Hewitson, K.S. / Schofield, C.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 429.5 KB | Display | ![]() |
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PDB format | ![]() | 364.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 84.5 KB | Display | |
Data in CIF | ![]() | 121.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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 domain:
NCS domain segments:
NCS oper:
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Components
#1: Protein | Mass: 61480.672 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-TPP / #3: Chemical | ChemComp-MG / #4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.86 Å3/Da / Density % sol: 56.6 % | ||||||||||||||||||||||||
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Crystal grow | pH: 7.5 Details: 1.6M (NH4)2SO4, 0.1M HEPES PH7.4. 10 MG/ML PROTEIN WITH 3-FOLD EXCESS OF TDP., pH 7.50 | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 17 ℃ / pH: 7.4 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||
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: Jul 15, 2003 | |||||||||
Radiation | Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||
Radiation wavelength |
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Reflection | Resolution: 2.35→32.44 Å / Num. obs: 119393 / % possible obs: 96.7 % / Redundancy: 5.8 % / Rmerge(I) obs: 0.081 / Net I/σ(I): 7.6 | |||||||||
Reflection shell | Resolution: 2.35→2.48 Å / Redundancy: 5 % / Rmerge(I) obs: 0.189 / Mean I/σ(I) obs: 3.8 / % possible all: 94.2 | |||||||||
Reflection | *PLUS Highest resolution: 2.35 Å / Lowest resolution: 32.44 Å / Redundancy: 5.8 % / Num. measured all: 690214 / Rmerge(I) obs: 0.081 | |||||||||
Reflection shell | *PLUS % possible obs: 94.2 % / Redundancy: 5 % / Num. unique obs: 16804 / Num. measured obs: 119393 / Rmerge(I) obs: 0.189 / Mean I/σ(I) obs: 3.8 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.09 Å2
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Refinement step | Cycle: LAST / Resolution: 2.35→35.14 Å
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Refine LS restraints |
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