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Yorodumi- PDB-1tys: WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE PRODUC... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1tys | ||||||
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Title | WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE PRODUCT COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 ANGSTROMS | ||||||
Components | THYMIDYLATE SYNTHASE | ||||||
Keywords | TRANSFERASE / METHYLTRANSFERASE | ||||||
Function / homology | Function and homology information thymidylate synthase / thymidylate synthase activity / dTMP biosynthetic process / dTTP biosynthetic process / response to radiation / regulation of translation / methylation / magnesium ion binding / protein homodimerization activity / RNA binding ...thymidylate synthase / thymidylate synthase activity / dTMP biosynthetic process / dTTP biosynthetic process / response to radiation / regulation of translation / methylation / magnesium ion binding / protein homodimerization activity / RNA binding / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.8 Å | ||||||
Authors | Fauman, E. / Rutenber, E. / Stroud, R. | ||||||
Citation | Journal: Biochemistry / Year: 1994 Title: Water-mediated substrate/product discrimination: the product complex of thymidylate synthase at 1.83 A. Authors: Fauman, E.B. / Rutenber, E.E. / Maley, G.F. / Maley, F. / Stroud, R.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1tys.cif.gz | 67.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1tys.ent.gz | 53.6 KB | Display | PDB format |
PDBx/mmJSON format | 1tys.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ty/1tys ftp://data.pdbj.org/pub/pdb/validation_reports/ty/1tys | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: RESIDUE CXM 1 IS A FORMATE GROUP BOUND TO N ATOM OF METHIONINE. | |||||||||
Components on special symmetry positions |
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-Components
#1: Protein | Mass: 30543.600 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Production host: Escherichia coli (E. coli) References: UniProt: P00470, UniProt: P0A884*PLUS, thymidylate synthase |
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#2: Chemical | ChemComp-TMP / |
#3: Chemical | ChemComp-DHF / |
#4: Water | ChemComp-HOH / |
Compound details | RESIDUE CXM 1 IS A FORMATE GROUP BOUND TO N ATOM OF METHIONINE |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.82 Å3/Da / Density % sol: 56.32 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 23 ℃ / Method: vapor diffusion, hanging drop / pH: 8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 1.8→15 Å / Num. obs: 30830 |
Reflection | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 9999 Å / Num. obs: 30830 / Rmerge(I) obs: 0.094 |
Reflection shell | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 1.9 Å / Num. possible: 4845 / Num. unique obs: 3117 / Rmerge(I) obs: 0.312 |
-Processing
Software |
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Refinement | Resolution: 1.8→7 Å / σ(F): 0 /
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Refinement step | Cycle: LAST / Resolution: 1.8→7 Å
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||
Refinement | *PLUS Num. reflection all: 30830 / Rfactor obs: 0.183 / Rfactor Rwork: 0.183 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS |