+Open data
-Basic information
Entry | Database: PDB / ID: 4q1r | ||||||
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Title | Galectin-1 in Complex with Ligand AN027 | ||||||
Components | Galectin-1 | ||||||
Keywords | SUGAR BINDING PROTEIN / rational drug design | ||||||
Function / homology | Function and homology information galectin complex / lactose binding / plasma cell differentiation / myoblast differentiation / laminin binding / T cell costimulation / Post-translational protein phosphorylation / cell-cell adhesion / positive regulation of inflammatory response / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) ...galectin complex / lactose binding / plasma cell differentiation / myoblast differentiation / laminin binding / T cell costimulation / Post-translational protein phosphorylation / cell-cell adhesion / positive regulation of inflammatory response / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / positive regulation of canonical NF-kappaB signal transduction / collagen-containing extracellular matrix / regulation of apoptotic process / positive regulation of viral entry into host cell / positive regulation of apoptotic process / endoplasmic reticulum lumen / apoptotic process / RNA binding / extracellular space / extracellular exosome / extracellular region / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.47 Å | ||||||
Authors | Grimm, C. / Bertleff-Zieschang, N. | ||||||
Citation | Journal: To be Published Title: Galectin-1 in Complex with Ligand AN027 Authors: Grimm, C. / Bertleff-Zieschang, N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4q1r.cif.gz | 171.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4q1r.ent.gz | 148.3 KB | Display | PDB format |
PDBx/mmJSON format | 4q1r.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4q1r_validation.pdf.gz | 1021.4 KB | Display | wwPDB validaton report |
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Full document | 4q1r_full_validation.pdf.gz | 1 MB | Display | |
Data in XML | 4q1r_validation.xml.gz | 16.3 KB | Display | |
Data in CIF | 4q1r_validation.cif.gz | 22.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q1/4q1r ftp://data.pdbj.org/pub/pdb/validation_reports/q1/4q1r | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 15016.079 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: LGALS1 / Production host: Escherichia coli (E. coli) / References: UniProt: P09382 #2: Chemical | #3: Chemical | ChemComp-SO4 / | #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: 2.33 Å3/Da / Density % sol: 47.25 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.9764 Å |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9764 Å / Relative weight: 1 |
Reflection | Resolution: 1.47→51.707 Å / Num. obs: 48330 / % possible obs: 99.3 % / Rsym value: 0.047 / Net I/σ(I): 15.8 |
Reflection shell | Highest resolution: 1.47 Å |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.47→51.707 Å / SU ML: 0.17 / σ(F): 1.35 / Phase error: 22.4 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 1 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.47→51.707 Å
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Refine LS restraints |
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LS refinement shell |
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