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- PDB-1q4t: crystal structure of 4-hydroxybenzoyl CoA thioesterase from Arthr... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1q4t | ||||||
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Title | crystal structure of 4-hydroxybenzoyl CoA thioesterase from Arthrobacter sp. strain SU complexed with 4-hydroxyphenyl CoA | ||||||
![]() | Thioesterase | ||||||
![]() | HYDROLASE / thioesterase / hot-dog | ||||||
Function / homology | ![]() 4-hydroxybenzoyl-CoA thioesterase / 4-hydroxybenzoyl-CoA thioesterase activity / 1,4-dihydroxy-2-naphthoyl-CoA thioesterase activity / phylloquinone biosynthetic process / menaquinone biosynthetic process / peroxisome / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Thoden, J.B. / Zhuang, Z. / Dunaway-Mariano, D. / Holden, H.M. | ||||||
![]() | ![]() Title: The Structure of 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. strain SU Authors: Thoden, J.B. / Zhuang, Z. / Dunaway-Mariano, D. / Holden, H.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 78 KB | Display | ![]() |
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PDB format | ![]() | 58.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 896.2 KB | Display | ![]() |
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Full document | ![]() | 906.6 KB | Display | |
Data in XML | ![]() | 18.8 KB | Display | |
Data in CIF | ![]() | 26.3 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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1 | ![]()
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Unit cell |
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Details | homotetramer The tetramer is generated from rotation of the crystallographically independent dimer around the crystallographic 2-fold axis |
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Components
#1: Protein | Mass: 16416.428 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: Q04416, 4-hydroxybenzoyl-CoA thioesterase #2: Chemical | ChemComp-CL / #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.37 Å3/Da / Density % sol: 63.51 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: PEG-3400, MOPS, LiCl, KCl, 4-hydroxyphenacyl CoA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS HI-STAR / Detector: AREA DETECTOR / Date: May 10, 2002 / Details: goebel optics |
Radiation | Monochromator: goebel optics / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→30 Å / Num. all: 58147 / Num. obs: 58147 / % possible obs: 97.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 7.4 % / Rsym value: 0.049 / Net I/σ(I): 35.1 |
Reflection shell | Resolution: 1.6→1.66 Å / Redundancy: 3.7 % / Mean I/σ(I) obs: 1.7 / Num. unique all: 4693 / Rsym value: 0.391 / % possible all: 81 |
Reflection | *PLUS Num. obs: 58417 / % possible obs: 97.1 % / Rmerge(I) obs: 0.049 |
Reflection shell | *PLUS % possible obs: 81 % / Num. unique obs: 4693 / Rmerge(I) obs: 0.391 |
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Processing
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Refinement | Method to determine structure: ![]()
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Refinement step | Cycle: LAST / Resolution: 1.6→30 Å
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Refine LS restraints |
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Refinement | *PLUS Num. reflection obs: 52320 / Rfactor obs: 0.18 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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