+Open data
-Basic information
Entry | Database: PDB / ID: 1tqy | ||||||
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Title | The Actinorhodin Ketosynthase/Chain Length Factor | ||||||
Components | (Actinorhodin polyketide putative beta-ketoacyl synthase ...) x 2 | ||||||
Keywords | TRANSFERASE / alpha-beta-alpha-beta-alpha / heterodimer | ||||||
Function / homology | Function and homology information 3-oxoacyl-[acyl-carrier-protein] synthase activity / antibiotic biosynthetic process / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / fatty acid biosynthetic process / cytosol Similarity search - Function | ||||||
Biological species | Streptomyces coelicolor A3 | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Keatinge-Clay, A.T. / Maltby, D.A. / Medzihradszky, K.F. / Khosla, C. / Stroud, R.M. | ||||||
Citation | Journal: Nat.Struct.Mol.Biol. / Year: 2004 Title: An antibiotic factory caught in action. Authors: Keatinge-Clay, A.T. / Maltby, D.A. / Medzihradszky, K.F. / Khosla, C. / 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 | 1tqy.cif.gz | 632.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1tqy.ent.gz | 508.2 KB | Display | PDB format |
PDBx/mmJSON format | 1tqy.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1tqy_validation.pdf.gz | 518.8 KB | Display | wwPDB validaton report |
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Full document | 1tqy_full_validation.pdf.gz | 577.9 KB | Display | |
Data in XML | 1tqy_validation.xml.gz | 123.4 KB | Display | |
Data in CIF | 1tqy_validation.cif.gz | 172.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tq/1tqy ftp://data.pdbj.org/pub/pdb/validation_reports/tq/1tqy | HTTPS FTP |
-Related structure data
Related structure data | 1kasS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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4 |
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Unit cell |
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Details | : There are four biological units per asymmetric unit. |
-Components
-Actinorhodin polyketide putative beta-ketoacyl synthase ... , 2 types, 8 molecules ACEGBDFH
#1: Protein | Mass: 45113.305 Da / Num. of mol.: 4 / Fragment: Ketosynthase Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor A3(2) (bacteria) Species: Streptomyces coelicolor / Strain: ATCC BAA-471 / A3(2) / M145 / Gene: SCO5087, SCBAC28G1.13 / Plasmid: pSEK38 / Species (production host): Streptomyces coelicolor / Production host: Streptomyces coelicolor A3(2) (bacteria) / Strain (production host): CH999 References: UniProt: Q02059, Transferases; Acyltransferases; Transferring groups other than aminoacyl groups #2: Protein | Mass: 43590.590 Da / Num. of mol.: 4 / Fragment: Chain Length Factor Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor A3(2) (bacteria) Strain: ATCC BAA-471 / A3(2) / M145 / Gene: SCO5088, SCBAC28G1.14 / Plasmid: pSEK38 / Production host: Streptomyces coelicolor A3(2) (bacteria) / Strain (production host): CH999 References: UniProt: Q02062, Transferases; Acyltransferases; Transferring groups other than aminoacyl groups |
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-Non-polymers , 4 types, 1087 molecules
#3: Chemical | ChemComp-MG / #4: Chemical | ChemComp-ACE / #5: Chemical | ChemComp-NA / #6: 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: 4.08 Å3/Da / Density % sol: 69.8 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: sodium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.127 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Nov 15, 2003 |
Radiation | Monochromator: DOUBLE CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.127 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. all: 385318 / Num. obs: 384406 / % possible obs: 98.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 8.6 % / Biso Wilson estimate: 16.3 Å2 / Rmerge(I) obs: 0.07 / Rsym value: 0.07 / Net I/σ(I): 9.3 |
Reflection shell | Resolution: 2→2.07 Å / Rmerge(I) obs: 0.31 / Mean I/σ(I) obs: 1.8 / Num. unique all: 38543 / Rsym value: 0.31 / % possible all: 95.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: FabF dimer, generated from 1KAS Resolution: 2→50 Å / Rfactor Rfree error: 0.001 / Data cutoff high absF: 87006.11 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 45.9486 Å2 / ksol: 0.390245 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.004 / Total num. of bins used: 6
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Xplor file |
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