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Yorodumi- PDB-1uh1: Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex -
+Open data
-Basic information
Entry | Database: PDB / ID: 1uh1 | |||||||||
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Title | Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex | |||||||||
Components |
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Keywords | SUGAR BINDING PROTEIN / All beta sheet protein / Beta-prism I fold / Gal specific | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Artocarpus integer (campedak) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.8 Å | |||||||||
Authors | Jeyaprakash, A.A. / Katiyar, S. / Swaminathan, C.P. / Sekar, K. / Surolia, A. / Vijayan, M. | |||||||||
Citation | Journal: J.MOL.BIOL. / Year: 2003 Title: Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study Authors: Jeyaprakash, A.A. / Katiyar, S. / Swaminathan, C.P. / Sekar, K. / Surolia, A. / Vijayan, M. #1: Journal: J.Mol.Biol. / Year: 2002 Title: Crystal structure of the jacalin-T-antigen complex and a comparative study of lectin-T-antigen complexes Authors: Jeyaprakash, A.A. / Rani, P.G. / Reddy, G.B. / Banumathi, S. / Betzel, C. / Sekar, K. / Surolia, A. / Vijayan, M. #2: Journal: Nat.Struct.Biol. / Year: 1996 Title: A Novel mode of carbohydrate recognition in jacalin, A moraceae plant lectin with a beta-prism fold Authors: Sankaranarayanan, R. / Sekar, K. / Banerjee, R. / Sharma, V. / Surolia, A. / Vijayan, M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1uh1.cif.gz | 131.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1uh1.ent.gz | 103 KB | Display | PDB format |
PDBx/mmJSON format | 1uh1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uh/1uh1 ftp://data.pdbj.org/pub/pdb/validation_reports/uh/1uh1 | HTTPS FTP |
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-Related structure data
Related structure data | 1ugwC 1ugxC 1ugyC 1uh0C 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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1 |
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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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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 14673.479 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Artocarpus integer (campedak) / Organ: seedsSeed / References: UniProt: P18670 #2: Protein/peptide | Mass: 2075.279 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Artocarpus integer (campedak) / Organ: seedsSeed / References: UniProt: P18673 #3: Polysaccharide | Source method: isolated from a genetically manipulated source #4: Sugar | ChemComp-MGC / | #5: 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: 2.85 Å3/Da / Density % sol: 56.49 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.3 Details: PEG 4000, NaCl, sodium azide, Phosphate buffer, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion | |||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.5418 Å |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Details: Osmic mirror |
Radiation | Monochromator: Mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→20 Å / Num. all: 19332 / Num. obs: 19332 / % possible obs: 97.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.2 % / Biso Wilson estimate: 46.8 Å2 / Rmerge(I) obs: 0.119 |
Reflection shell | Resolution: 2.8→2.9 Å / Rmerge(I) obs: 0.464 / Num. unique all: 1860 / % possible all: 97 |
Reflection | *PLUS Lowest resolution: 20 Å / Num. measured all: 81752 |
Reflection shell | *PLUS Highest resolution: 2.8 Å / Lowest resolution: 2.9 Å / % possible obs: 97 % / Num. unique obs: 1860 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1JAC Resolution: 2.8→19.97 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 184866.24 / 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: 31.1104 Å2 / ksol: 0.297384 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 39.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.8→19.97 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: CONSTR | ||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.8→2.97 Å / Rfactor Rfree error: 0.029 / Total num. of bins used: 6
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Xplor file |
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Refinement | *PLUS Highest resolution: 2.8 Å / Lowest resolution: 20 Å | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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