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- PDB-1tee: Crystal structure of C205F mutant of PKS18 from Mycobacterium tub... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1tee | ||||||
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Title | Crystal structure of C205F mutant of PKS18 from Mycobacterium tuberculosis | ||||||
![]() | pks18 | ||||||
![]() | TRANSFERASE / thiolase fold / substrate binding tunnel | ||||||
Function / homology | ![]() chalcone biosynthetic process / polyketide biosynthetic process / acyltransferase activity, transferring groups other than amino-acyl groups / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / fatty acid biosynthetic process Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Sankaranarayanan, R. / Shanmugam, V.M. / Rukmini, R. | ||||||
![]() | ![]() Title: A novel tunnel in mycobacterial type III polyketide synthase reveals the structural basis for generating diverse metabolites Authors: Sankaranarayanan, R. / Saxena, P. / Marathe, U.B. / Gokhale, R.S. / Shanmugam, V.M. / Rukmini, R. #1: Journal: Acta Crystallogr.,Sect.D / Year: 2004 Title: Crystallization and preliminary X-ray crystallographic investigations of an unusual type III polyketide synthase PKS18 from Mycobacterium tuberculosis Authors: Rukmini, R. / Shanmugam, V.M. / Saxena, P. / Gokhale, R.S. / Sankaranarayanan, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 267.5 KB | Display | ![]() |
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PDB format | ![]() | 217.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 461.3 KB | Display | ![]() |
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Full document | ![]() | 511.8 KB | Display | |
Data in XML | ![]() | 54.2 KB | Display | |
Data in CIF | ![]() | 73 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Details | The biological assembly is a homodimer. The file contains two of them, AB and CD. |
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Components
#1: Protein | Mass: 42117.348 Da / Num. of mol.: 4 / Mutation: C205F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q7D8I1, UniProt: P9WPF1*PLUS, chalcone synthase |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.4 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.7 Details: PEG 8000, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Mar 26, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→25 Å / Num. all: 37759 / Num. obs: 36320 / % possible obs: 96.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 1.66 % / Biso Wilson estimate: 46.6 Å2 / Rmerge(I) obs: 0.083 / Net I/σ(I): 7.53 |
Reflection shell | Resolution: 2.9→3 Å / Redundancy: 1.7 % / Rmerge(I) obs: 0.299 / Mean I/σ(I) obs: 2 / Num. unique all: 3451 / % possible all: 91.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PKS18 wild type structure Resolution: 2.9→24.95 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 1147036.78 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 31.5044 Å2 / ksol: 0.368178 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.9→24.95 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.9→3 Å / Rfactor Rfree error: 0.03 / Total num. of bins used: 10
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Xplor file |
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