+Open data
-Basic information
Entry | Database: PDB / ID: 1d8a | ||||||
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Title | E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX | ||||||
Components | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE | ||||||
Keywords | OXIDOREDUCTASE / E. COLI ENOYL REDUCTASE / TRICLOSAN | ||||||
Function / homology | Function and homology information enoyl-[acyl-carrier-protein] reductase activity (NAD(P)H) / NADH binding / biotin biosynthetic process / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / lipid biosynthetic process / catalytic complex / protein homotetramerization / response to antibiotic ...enoyl-[acyl-carrier-protein] reductase activity (NAD(P)H) / NADH binding / biotin biosynthetic process / fatty acid elongation / enoyl-[acyl-carrier-protein] reductase (NADH) / enoyl-[acyl-carrier-protein] reductase (NADH) activity / lipid biosynthetic process / catalytic complex / protein homotetramerization / response to antibiotic / protein-containing complex / identical protein binding / membrane / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.2 Å | ||||||
Authors | Levy, C.W. / Roujeinikova, A. / Sedelnikova, S. / Baker, P.J. / Stuitje, A.R. / Slabas, A.R. / Rice, D.W. / Rafferty, J.B. | ||||||
Citation | Journal: Nature / Year: 1999 Title: Molecular basis of triclosan activity. Authors: Levy, C.W. / Roujeinikova, A. / Sedelnikova, S. / Baker, P.J. / Stuitje, A.R. / Slabas, A.R. / Rice, D.W. / Rafferty, J.B. #1: Journal: To be Published Title: Crystallographic Analysis of Triclosan Bound to Enoyl Reductase Authors: Roujeinikova, A. / Levy, C.W. / Rowsell, S. / Sedelnikova, S. / Baker, P.J. / Minshull, C.A. / Mistry, A. / Colls, J.G. / Camble, R. / Stuitje, A.R. / Slabas, A.R. / Rafferty, J.B. / ...Authors: Roujeinikova, A. / Levy, C.W. / Rowsell, S. / Sedelnikova, S. / Baker, P.J. / Minshull, C.A. / Mistry, A. / Colls, J.G. / Camble, R. / Stuitje, A.R. / Slabas, A.R. / Rafferty, J.B. / Pauptit, R.A. / Viner, R. / Rice, D.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1d8a.cif.gz | 111.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1d8a.ent.gz | 87.3 KB | Display | PDB format |
PDBx/mmJSON format | 1d8a.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1d8a_validation.pdf.gz | 625.2 KB | Display | wwPDB validaton report |
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Full document | 1d8a_full_validation.pdf.gz | 647.4 KB | Display | |
Data in XML | 1d8a_validation.xml.gz | 15.7 KB | Display | |
Data in CIF | 1d8a_validation.cif.gz | 22.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d8/1d8a ftp://data.pdbj.org/pub/pdb/validation_reports/d8/1d8a | HTTPS FTP |
-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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-Components
#1: Protein | Mass: 27761.730 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Escherichia coli (E. coli) References: UniProt: P29132, UniProt: P0AEK4*PLUS, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.52 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion / pH: 7.5 Details: PEG 400, NA HEPES, AMMONIUM SULPHATE, pH 7.5, VAPOUR DIFFUSION, temperature 290K |
Crystal grow | *PLUS Method: unknownDetails: This particular structure is not described in this paper. |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX7.2 / Wavelength: 1.488 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Sep 25, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.488 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→999 Å / Num. obs: 153843 / % possible obs: 78 % / Biso Wilson estimate: 34 Å2 / Rmerge(I) obs: 0.057 |
Reflection shell | Resolution: 2.18→2.24 Å |
-Processing
Software |
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Refinement | Resolution: 2.2→20 Å / Stereochemistry target values: ENGH & HUBER /
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Refinement step | Cycle: LAST / Resolution: 2.2→20 Å
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Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||
Refinement | *PLUS Highest resolution: 2.2 Å / Rfactor all: 0.223 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS |