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Yorodumi- PDB-1toq: CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1toq | ||||||
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Title | CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS HIRSUTA IN COMPLEX WITH METHYL-a-D-GALACTOSE | ||||||
Components |
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Keywords | SUGAR BINDING PROTEIN / Artocarpus hirsuta / Moraceae plant lectins / Jacalin family / Post-translational modification / Carbohydrate specificity / Methyl--D-galactose / Three-dimensional structure / -prism I fold. | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Artocarpus hirsutus (aini) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Rao, K.N. / Suresh, C.G. / Katre, U.V. / Gaikwad, S.M. / Khan, M.I. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2004 Title: Two orthorhombic crystal structures of a galactose-specific lectin from Artocarpus hirsuta in complex with methyl-alpha-D-galactose. Authors: Rao, K.N. / Suresh, C.G. / Katre, U.V. / Gaikwad, S.M. / Khan, M.I. | ||||||
History |
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Remark 525 | SOLVENT MOLECULES SOLVENT MOLECULES 1 - 31 ARE ASSOCIATED WITH COMPLEX A-B. SOLVENT MOLECULES 101- ...SOLVENT MOLECULES SOLVENT MOLECULES 1 - 31 ARE ASSOCIATED WITH COMPLEX A-B. SOLVENT MOLECULES 101-130 ARE ASSOCIATED WITH COMPLEX A-B. SOLVENT MOLECULES 201-227 ARE ASSOCIATED WITH COMPLEX A-B. SOLVENT MOLECULES 301-329 ARE ASSOCIATED WITH COMPLEX A-B. | ||||||
Remark 999 | SEQUENCE sEQUENCE OF THESE MOLECULES IS NOT YET AVAILABLE IN ANY SEQUENCE DATABASE |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1toq.cif.gz | 123.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1toq.ent.gz | 98.4 KB | Display | PDB format |
PDBx/mmJSON format | 1toq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/to/1toq ftp://data.pdbj.org/pub/pdb/validation_reports/to/1toq | HTTPS FTP |
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-Related structure data
Related structure data | 1tp8C 1jacS 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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2 |
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3 |
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4 |
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5 |
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6 |
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7 |
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8 |
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9 |
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Unit cell |
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-Components
#1: Protein | Mass: 14605.298 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: SEEDS / Source: (natural) Artocarpus hirsutus (aini) / References: UniProt: P18670*PLUS #2: Protein/peptide | Mass: 2061.253 Da / Num. of mol.: 4 / Source method: obtained synthetically / Details: Chemically synthesized / References: UniProt: P18673*PLUS #3: Sugar | ChemComp-AMG / #4: 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: 6.5 Å3/Da / Density % sol: 80 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6.2 Details: 0.2 M PO4 BUFFER, 35% AMMONIUM SULPHATE,METHYL ALPHA GALACTOSE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 295 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Sep 12, 2002 / Details: CONFOCAL |
Radiation | Monochromator: MIRROR OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→60 Å / Num. all: 50815 / Num. obs: 50815 / % possible obs: 96.2 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 3.8 % / Biso Wilson estimate: 42.52 Å2 / Rmerge(I) obs: 0.073 / Net I/σ(I): 11.53 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 1.7 % / Rmerge(I) obs: 0.268 / Mean I/σ(I) obs: 3.13 / Num. unique all: 5103 / % possible all: 98.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1JAC Resolution: 2.5→15 Å / Isotropic thermal model: ISOTROPIC / Cross valid method: FREE R FACTOR / σ(F): 1 / σ(I): 1 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 47.4 Å2 | ||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→15 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.6 Å
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