[English] 日本語
Yorodumi- PDB-2xat: COMPLEX OF THE HEXAPEPTIDE XENOBIOTIC ACETYLTRANSFERASE WITH CHLO... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2xat | ||||||
---|---|---|---|---|---|---|---|
Title | COMPLEX OF THE HEXAPEPTIDE XENOBIOTIC ACETYLTRANSFERASE WITH CHLORAMPHENICOL AND DESULFO-COENZYME A | ||||||
Components | XENOBIOTIC ACETYLTRANSFERASE | ||||||
Keywords | ACETYLTRANSFERASE / XENOBIOTIC / CHLORAMPHENICOL / LEFT-HANDED BETA HELIX | ||||||
Function / homology | Function and homology information chloramphenicol O-acetyltransferase activity / chloramphenicol O-acetyltransferase / response to antibiotic Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 3.2 Å | ||||||
Authors | Beaman, T.W. / Sugantino, M. / Roderick, S.L. | ||||||
Citation | Journal: Biochemistry / Year: 1998 Title: Structure of the hexapeptide xenobiotic acetyltransferase from Pseudomonas aeruginosa. Authors: Beaman, T.W. / Sugantino, M. / Roderick, S.L. #1: Journal: Proteins / Year: 1997 Title: Purification and Crystallization of Pseudomonas Aeruginosa Chloramphenicol Acetyltransferase Authors: Tian, Y. / Beaman, T.W. / Roderick, S.L. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 2xat.cif.gz | 49.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb2xat.ent.gz | 35.5 KB | Display | PDB format |
PDBx/mmJSON format | 2xat.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xa/2xat ftp://data.pdbj.org/pub/pdb/validation_reports/xa/2xat | HTTPS FTP |
---|
-Related structure data
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 23506.443 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Strain: PA103 / Cell line: BL21 / Plasmid: PYT1 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: P26841 |
---|---|
#2: Chemical | ChemComp-CLM / |
#3: Chemical | ChemComp-DCA / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 6.6 Å3/Da / Density % sol: 79 % | ||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | pH: 8.5 Details: 10-20% POLYETHYLENEGLYCOL MONOMETHYL ETHER 2000, 100 MM TRIS, PH 8.5, 10 MM NICL2, 2 MM CHLORAMPHENICOL, 50 MM DESULFO-COA | ||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 295 K |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Aug 1, 1997 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 3.2→99 Å / Num. obs: 10328 / % possible obs: 94 % / Redundancy: 3.8 % / Biso Wilson estimate: 22.7 Å2 / Rmerge(I) obs: 0.094 / Rsym value: 0.094 / Net I/σ(I): 10.9 |
Reflection shell | Resolution: 3.2→3.3 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.225 / Mean I/σ(I) obs: 4.9 / Rsym value: 0.225 / % possible all: 82 |
Reflection | *PLUS Num. measured all: 42067 |
Reflection shell | *PLUS % possible obs: 82 % |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.2→8 Å / Rfactor Rfree error: 0.011 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 0
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.2→8 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 3.2→3.39 Å / Rfactor Rfree error: 0.03 / Total num. of bins used: 6
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Xplor file |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor obs: 0.252 |