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Yorodumi- PDB-1lzk: BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DI... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1lzk | ||||||
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Title | BACTERIAL HEROIN ESTERASE COMPLEX WITH TRANSITION STATE ANALOG DIMETHYLARSENIC ACID | ||||||
Components | HEROIN ESTERASE | ||||||
Keywords | HYDROLASE / alpha/beta hydrolase | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Rhodococcus sp. (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.45 Å | ||||||
Authors | Zhu, X. / Larsen, N.A. / Basran, A. / Bruce, N.C. / Wilson, I.A. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2003 Title: OBSERVATION OF AN ARSENIC ADDUCT IN AN ACETYL ESTERASE CRYSTAL STRUCTURE Authors: ZHU, X. / LARSEN, N.A. / BASRAN, A. / BRUCE, N.C. / WILSON, I.A. | ||||||
History |
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Remark 999 | sequence Authors state that GenBank reference sequence is incorrect for residues 159, 299, 301, 307- ...sequence Authors state that GenBank reference sequence is incorrect for residues 159, 299, 301, 307-313 and 315-322. Authors maintain that their sequence is correct and has an additional residue 323. This sequence has not yet been deposited in any sequence reference database. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1lzk.cif.gz | 141.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1lzk.ent.gz | 116.5 KB | Display | PDB format |
PDBx/mmJSON format | 1lzk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1lzk_validation.pdf.gz | 438 KB | Display | wwPDB validaton report |
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Full document | 1lzk_full_validation.pdf.gz | 443 KB | Display | |
Data in XML | 1lzk_validation.xml.gz | 16.8 KB | Display | |
Data in CIF | 1lzk_validation.cif.gz | 25.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lz/1lzk ftp://data.pdbj.org/pub/pdb/validation_reports/lz/1lzk | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 34497.199 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rhodococcus sp. (bacteria) / Strain: H1 / Plasmid: PET28A(+) / Production host: Escherichia coli (E. coli) / Strain (production host): B834-(DE3) / References: UniProt: O06441 |
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#2: Chemical | ChemComp-CAC / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 45.92 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 295 K / Method: evaporation / pH: 6.5 Details: AMMONIUM SULFATE, SODIUM CHLORIDE, CACODYLATE, pH 6.5, EVAPORATION, temperature 295K | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: microdialysis | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 92.7 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL11-1 / Wavelength: 0.89471 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 13, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.89471 Å / Relative weight: 1 |
Reflection | Resolution: 1.45→24.4 Å / Num. all: 56480 / Num. obs: 56480 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Redundancy: 21.3 % / Rmerge(I) obs: 0.078 / Net I/σ(I): 42.2 |
Reflection shell | Resolution: 1.45→1.48 Å / Rmerge(I) obs: 0.653 / Mean I/σ(I) obs: 3.7 / % possible all: 100 |
Reflection | *PLUS |
Reflection shell | *PLUS % possible obs: 100 % |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.45→24.4 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refine analyze | Num. disordered residues: 6 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.45→24.4 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS % reflection Rfree: 5 % / Rfactor all: 0.157 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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