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- PDB-3eyc: New crystal structure of human tear lipocalin in complex with 1,4... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3eyc | ||||||
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Title | New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21 | ||||||
![]() | Lipocalin-1 | ||||||
![]() | TRANSPORT PROTEIN / ligand-binding protein / beta-barrel / Secreted / Sensory transduction / Taste / Transport | ||||||
Function / homology | ![]() Transport of fatty acids / response to stimulus / chloride ion binding / cysteine-type endopeptidase inhibitor activity / sensory perception of taste / signaling receptor binding / proteolysis / extracellular space / zinc ion binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Breustedt, D.A. / Keil, L. / Skerra, A. | ||||||
![]() | ![]() Title: A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity Authors: Breustedt, D.A. / Chatwell, L. / Skerra, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 126.4 KB | Display | ![]() |
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PDB format | ![]() | 96.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 470.1 KB | Display | ![]() |
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Full document | ![]() | 483.5 KB | Display | |
Data in XML | ![]() | 25.5 KB | Display | |
Data in CIF | ![]() | 34.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1xkiS S: Starting model for refinement |
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Similar structure data |
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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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3 | ![]()
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4 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 17949.180 Da / Num. of mol.: 4 / Fragment: residues 5-166 / Mutation: C101S, D158A Source method: isolated from a genetically manipulated source Details: Tear / Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-BU1 / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.62 % / Mosaicity: 0.466 ° |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 27% PEG3350, 0.8% 1.4-Butanediol, 200mM NaCl, 100mM Tris/HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: May 5, 2005 / Details: Osmics mirrors |
Radiation | Monochromator: Graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→20 Å / Num. obs: 19625 / % possible obs: 99.6 % / Redundancy: 5.7 % / Rmerge(I) obs: 0.061 / Χ2: 1.037 / Net I/σ(I): 16 |
Reflection shell | Resolution: 2.6→2.69 Å / % possible obs: 97 % / Redundancy: 4.8 % / Rmerge(I) obs: 0.236 / Num. unique obs: 1852 / Χ2: 0.991 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1xki, residues 14 to 24, 38 to 55, 64 to 104 and 110 to 150 Resolution: 2.6→20 Å / FOM work R set: 0.798 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 43.683 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.6→20 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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