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- PDB-1grq: CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH P-AMINO-CHLORA... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1grq | ||||||
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Title | CHLORAMPHENICOL PHOSPHOTRANSFERASE IN COMPLEX WITH P-AMINO-CHLORAMPHENICOL FROM STREPTOMYCES VENEZUELAE | ||||||
![]() | CHLORAMPHENICOL 3-O PHOSPHOTRANSFERASE | ||||||
![]() | TRANSFERASE / KINASE / ANTIBIOTIC RESISTANCE / PHOSPHORYLATION / MONONUCLEOTIDE BINDING FOLD | ||||||
Function / homology | ![]() Transferases; Transferring phosphorus-containing groups; Phosphotransferases with an alcohol group as acceptor / kinase activity / phosphorylation / response to antibiotic / ATP binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Izard, T. | ||||||
![]() | ![]() Title: Structural Basis for Chloramphenicol Tolerance in Streptomyces Venezuelae by Chloramphenicol Phosphotransferase Activity Authors: Izard, T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 45.9 KB | Display | ![]() |
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PDB format | ![]() | 32.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 430.5 KB | Display | ![]() |
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Full document | ![]() | 434.4 KB | Display | |
Data in XML | ![]() | 5.7 KB | Display | |
Data in CIF | ![]() | 8.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1grrC ![]() 1qhnS C: citing same article ( S: Starting model for refinement |
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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
#1: Protein | Mass: 18834.365 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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#2: Chemical | ChemComp-SO4 / |
#3: Chemical | ChemComp-CLK / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 8.8 Å3/Da / Density % sol: 86 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.5 / Details: pH 7.50 | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.5 / 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 | Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→100 Å / Num. obs: 370300 / % possible obs: 95.1 % / Observed criterion σ(I): 2 / Redundancy: 25.1 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 48.8 |
Reflection shell | Resolution: 2.9→3 Å / Rmerge(I) obs: 0.298 / % possible all: 0.6 |
Reflection | *PLUS Num. obs: 14719 / Num. measured all: 370300 |
Reflection shell | *PLUS % possible obs: 59.3 % |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: 1QHN Resolution: 2.9→99 Å / Rfactor Rfree error: 0.011 / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters |
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Refine analyze | Luzzati coordinate error free: 0.43 Å / Luzzati sigma a free: 0.49 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.9→99 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.9→3.08 Å / Rfactor Rfree error: 0.051 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 0.5 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 45 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.438 |