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Open data
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Basic information
Entry | Database: PDB / ID: 1sjw | ||||||
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Title | Structure of polyketide cyclase SnoaL | ||||||
![]() | nogalonic acid methyl ester cyclase | ||||||
![]() | LYASE / Anthracyclines / Nogalamycin / SnoaL / aldol condensation / Structural Genomics / Structural Proteomics in Europe / SPINE | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sultana, A. / Kallio, P. / Jansson, A. / Wang, J.S. / Neimi, J. / Mantsala, P. / Schneider, G. / Structural Proteomics in Europe (SPINE) | ||||||
![]() | ![]() Title: Structure of the polyketide cyclase SnoaL reveals a novel mechanism for enzymatic aldol condensation. Authors: Sultana, A. / Kallio, P. / Jansson, A. / Wang, J.S. / Niemi, J. / Schneider, G. #1: ![]() Title: Crystallization and preliminary crystallographic data of SnoaL, a polyketide cyclase in nogalamycin biosynthesis Authors: Sultana, A. / Kallio, P. / Jansson, A. / Neimi, J. / Mantsala, P. / Schneider, G. | ||||||
History |
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Remark 999 | SEQUENCE THE AUTHORS STATE THAT THE SNOAL GENE STARTS EARLIER THAN PREDICTED FROM THE ORIGINALLY ...SEQUENCE THE AUTHORS STATE THAT THE SNOAL GENE STARTS EARLIER THAN PREDICTED FROM THE ORIGINALLY DEPOSITED SEQUENCE. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 80.2 KB | Display | ![]() |
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PDB format | ![]() | 59.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
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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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Components on special symmetry positions |
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Details | The biological assembly is a tetramer generated from the one monomer in the assymetric unit by the operations (-1,-1,0),(-1,0,-1),(0,-1,-1). |
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Components
#1: Protein | Mass: 16788.891 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-NGV / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 42.74 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: PEG4000, Tris HCl, Na Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.35→36.03 Å / Num. obs: 35447 / % possible obs: 98.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 11.3 % / Biso Wilson estimate: 16.57 Å2 / Rsym value: 0.085 / Net I/σ(I): 23.3 | |||||||||||||||
Reflection shell | Resolution: 1.35→1.42 Å / Redundancy: 8.3 % / Mean I/σ(I) obs: 3.4 / Rsym value: 0.485 / % possible all: 98.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: Built by ARP/WARP Resolution: 1.35→36.03 Å / Num. parameters: 12538 / Num. restraintsaints: 15347 / Isotropic thermal model: Anisotropic / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber Details: ANISOTROPIC REFINEMENT REDUCED FREE R (NO CUTOFF) BY SHELX
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Displacement parameters |
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Refine analyze | Num. disordered residues: 6 / Occupancy sum hydrogen: 1101 / Occupancy sum non hydrogen: 1347.25 | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.35→36.03 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.35→36.03 Å
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