[English] 日本語
Yorodumi- PDB-1ftf: CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEI... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ftf | ||||||
---|---|---|---|---|---|---|---|
Title | CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 2) | ||||||
Components | ACYL CARRIER PROTEIN SYNTHASE | ||||||
Keywords | TRANSFERASE / Bacterial fatty acid biosynthesis / Acyl carrier synthase / Coenzyme A / structure-based drug design | ||||||
Function / homology | Function and homology information holo-[acyl-carrier-protein] synthase / holo-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / magnesium ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Streptococcus pneumoniae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å | ||||||
Authors | Chirgadze, N. / Briggs, S. / McAllister, K. / Fischl, A. / Zhao, G. | ||||||
Citation | Journal: EMBO J. / Year: 2000 Title: Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis. Authors: Chirgadze, N.Y. / Briggs, S.L. / McAllister, K.A. / Fischl, A.S. / Zhao, G. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1ftf.cif.gz | 81.4 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1ftf.ent.gz | 60.7 KB | Display | PDB format |
PDBx/mmJSON format | 1ftf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ftf_validation.pdf.gz | 376.5 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1ftf_full_validation.pdf.gz | 381.2 KB | Display | |
Data in XML | 1ftf_validation.xml.gz | 7.8 KB | Display | |
Data in CIF | 1ftf_validation.cif.gz | 12.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ft/1ftf ftp://data.pdbj.org/pub/pdb/validation_reports/ft/1ftf | HTTPS FTP |
-Related structure data
Related structure data | 1fteSC 1fthC S: Starting model for refinement C: citing same article (ref.) |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 13678.506 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptococcus pneumoniae (bacteria) / Production host: Escherichia coli (E. coli) References: UniProt: P0A2W6, holo-[acyl-carrier-protein] synthase #2: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.05 Å3/Da / Density % sol: 40.1 % | ||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | *PLUS Temperature: 294 K / pH: 7.1 / Method: vapor diffusion | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jun 15, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→20 Å / Num. all: 20366 / Num. obs: 20366 / % possible obs: 94 % / Observed criterion σ(I): 0 / Redundancy: 6.2 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 26.5 |
Reflection shell | Resolution: 2.05→2.1 Å / % possible obs: 89 % / Rmerge(I) obs: 0.301 / Mean I/σ(I) obs: 5 / % possible all: 89 |
Reflection | *PLUS Num. all: 126451 / % possible obs: 94 % / Num. measured all: 423425 / Rmerge(I) obs: 0.06 |
Reflection shell | *PLUS Mean I/σ(I) obs: 3 |
-Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1FTE Resolution: 2.05→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.05→20 Å
| |||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||
LS refinement shell | Resolution: 2.05→2.09 Å / Total num. of bins used: 18
| |||||||||||||||||||||||||
Software | *PLUS Name: CNX / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 0 / % reflection Rfree: 4.5 % / Rfactor obs: 0.208 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
| |||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor Rfree: 0.377 / % reflection Rfree: 4.5 % / Rfactor Rwork: 0.317 |