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Yorodumi- PDB-1drt: CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II),... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1drt | ||||||
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Title | CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II), 2-OXOGLUTARATE AND PROCLAVAMINIC ACID | ||||||
Components | CLAVAMINATE SYNTHASE 1 | ||||||
Keywords | OXIDOREDUCTASE / LYASE / Oxygenase / Trifunctional Enzyme / CLAVAMINATE SYNTHASE 1 | ||||||
Function / homology | Function and homology information clavaminate synthase / clavaminate synthase activity / clavulanic acid biosynthetic process / antibiotic biosynthetic process / iron ion binding Similarity search - Function | ||||||
Biological species | Streptomyces clavuligerus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.1 Å | ||||||
Authors | Zhang, Z.H. / Ren, J. / Stammers, D.K. / Baldwin, J.E. / Harlos, K. / Schofield, C.J. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 2000 Title: Structural origins of the selectivity of the trifunctional oxygenase clavaminic acid synthase. Authors: Zhang, Z. / Ren, J. / Stammers, D.K. / Baldwin, J.E. / Harlos, K. / Schofield, C.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1drt.cif.gz | 77.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1drt.ent.gz | 56.7 KB | Display | PDB format |
PDBx/mmJSON format | 1drt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dr/1drt ftp://data.pdbj.org/pub/pdb/validation_reports/dr/1drt | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 35415.785 Da / Num. of mol.: 1 / Fragment: CLAVAMINIC ACID SYNTHASE 1 (CAS1) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces clavuligerus (bacteria) / Plasmid: PET11A / Production host: Escherichia coli (E. coli) / References: UniProt: Q05581 |
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#2: Chemical | ChemComp-PCV / |
#3: Chemical | ChemComp-FE2 / |
#4: Chemical | ChemComp-AKG / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 44.18 % | |||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / Details: VAPOR DIFFUSION, HANGING DROP, temperature 298K | |||||||||||||||
Crystal grow | *PLUS Temperature: 21 ℃ / Details: macroseeding | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→30 Å / Num. obs: 18084 / % possible obs: 95.8 % / Observed criterion σ(I): -1.5 / Redundancy: 2.91 % / Rmerge(I) obs: 0.096 / Net I/σ(I): 8.12 |
Reflection shell | Resolution: 2.1→2.18 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.471 / Num. unique all: 1766 / % possible all: 95 |
Reflection | *PLUS Num. measured all: 52595 |
Reflection shell | *PLUS % possible obs: 95 % / Mean I/σ(I) obs: 1.6 |
-Processing
Software |
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Refinement | Resolution: 2.1→30 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.1→30 Å
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Refine LS restraints |
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