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Open data
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Basic information
Entry | Database: PDB / ID: 1ls6 | ||||||
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Title | Human SULT1A1 complexed with PAP and p-Nitrophenol | ||||||
![]() | aryl sulfotransferase![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Gamage, N.U. / Barnett, A.C. / Tresillian, M. / Latham, C.F. / Liyou, N.E. / McManus, M.E. / Martin, J.L. | ||||||
![]() | ![]() Title: Structure of a human carcinogen-converting enzyme, SULT1A1. Structural and kinetic implications of substrate inhibition. Authors: Gamage, N.U. / Duggleby, R.G. / Barnett, A.C. / Tresillian, M. / Latham, C.F. / Liyou, N.E. / McManus, M.E. / Martin, J.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 76.9 KB | Display | ![]() |
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PDB format | ![]() | 57.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1aquS 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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Unit cell |
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Components
#1: Protein | ![]() Mass: 34220.309 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-A3P / ![]() | ||
#3: Chemical | ![]() #4: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 56 % | ||||||||||||||||||||||||||||||
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 20% PEG 4000, 0.1M Tris, 10 mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 290 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Jul 31, 2001 / Details: Osmic Maxflux confocal Blue |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.9→19.89 Å / Num. all: 32548 / Num. obs: 31483 / % possible obs: 96.7 % / Observed criterion σ(I): 0 / Redundancy: 2.6 % / Biso Wilson estimate: 18.5 Å2 / Rmerge(I) obs: 0.086 / Rsym value: 0.041 / Net I/σ(I): 8.6 |
Reflection shell | Resolution: 1.9→2.02 Å / Redundancy: 1.35 % / Rmerge(I) obs: 0.245 / Mean I/σ(I) obs: 2.4 / Num. unique all: 4131 / Rsym value: 0.22 / % possible all: 86 |
Reflection | *PLUS % possible obs: 91.4 % / Num. measured all: 82261 / Rmerge(I) obs: 0.041 |
Reflection shell | *PLUS % possible obs: 63.8 % / Rmerge(I) obs: 0.22 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ID 1AQU Resolution: 1.9→19.88 Å / Rfactor Rfree error: 0.004 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: Flat model / Bsol: 62.3 Å2 / ksol: 0.35 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→19.88 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→2.02 Å / Rfactor Rfree error: 0.012 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 20 Å / % reflection Rfree: 10 % / Rfactor Rfree![]() ![]() | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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