+Open data
-Basic information
Entry | Database: PDB / ID: 1is3 | |||||||||
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Title | LACTOSE AND MES-LIGANDED CONGERIN II | |||||||||
Components | CONGERIN II | |||||||||
Keywords | SUGAR BINDING PROTEIN / COMPLEX WITH LACTOSE AND MES | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Conger myriaster (whitespotted conger) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.45 Å | |||||||||
Authors | Shirai, T. / Matsui, Y. / Shionyu-Mitsuyama, C. / Yamane, T. / Kamiya, H. / Ishii, C. / Ogawa, T. / Muramoto, K. | |||||||||
Citation | Journal: J.MOL.BIOL. / Year: 2002 Title: Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication Authors: Shirai, T. / Matsui, Y. / Shionyu-Mitsuyama, C. / Yamane, T. / Kamiya, H. / Ishii, C. / Ogawa, T. / Muramoto, K. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1is3.cif.gz | 44.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1is3.ent.gz | 29.2 KB | Display | PDB format |
PDBx/mmJSON format | 1is3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/is/1is3 ftp://data.pdbj.org/pub/pdb/validation_reports/is/1is3 | HTTPS FTP |
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-Related structure data
Related structure data | 1is4C 1is5C 1is6C 1c1lS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The second part of the biological assembly is generated by the two fold axis : y, x, -z+1. |
-Components
#1: Protein | Mass: 15354.119 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Conger myriaster (whitespotted conger) / Tissue: SKIN MUCUS / Plasmid: PTV118N / Production host: Escherichia coli (E. coli) / Strain (production host): JM109 / References: UniProt: Q9YIC2 |
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#2: Polysaccharide | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose / beta-lactose |
#3: Chemical | ChemComp-MES / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.48 Å3/Da / Density % sol: 50.49 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: magnesium sulfate, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ | |||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 291 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-6A / Wavelength: 1 Å |
Detector | Type: FUJI / Detector: IMAGE PLATE / Date: Nov 26, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.45→99 Å / Num. all: 26180 / Num. obs: 26180 / % possible obs: 94.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.06 / Net I/σ(I): 37 |
Reflection shell | Resolution: 1.45→1.5 Å / Rmerge(I) obs: 0.226 / Mean I/σ(I) obs: 5.5 / Num. unique all: 2097 / % possible all: 77 |
Reflection | *PLUS Rmerge(I) obs: 0.06 |
Reflection shell | *PLUS % possible obs: 77 % / Num. unique obs: 2097 / Rmerge(I) obs: 0.226 / Mean I/σ(I) obs: 5.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1C1L Resolution: 1.45→8 Å / σ(F): 3 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.45→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.45→1.5 Å
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Refinement | *PLUS Rfactor all: 0.197 / Rfactor obs: 0.196 / Rfactor Rfree: 0.226 / Rfactor Rwork: 0.195 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.302 / Rfactor Rwork: 0.305 |