+Open data
-Basic information
Entry | Database: PDB / ID: 5cui | ||||||
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Title | Crystal structure of Human Defensin-5 R28A mutant. | ||||||
Components | Defensin-5 | ||||||
Keywords | ANTIMICROBIAL PROTEIN / PANETH CELLS DEFENSIN / HUMAN ALPHA-DEFENSIN / INTESTINAL DEFENSIN | ||||||
Function / homology | Function and homology information positive regulation of membrane permeability / Defensins / disruption of plasma membrane integrity in another organism / killing by host of symbiont cells / Alpha-defensins / defense response to fungus / transport vesicle / innate immune response in mucosa / secretory granule / positive regulation of interleukin-8 production ...positive regulation of membrane permeability / Defensins / disruption of plasma membrane integrity in another organism / killing by host of symbiont cells / Alpha-defensins / defense response to fungus / transport vesicle / innate immune response in mucosa / secretory granule / positive regulation of interleukin-8 production / Golgi lumen / antimicrobial humoral immune response mediated by antimicrobial peptide / midbody / antibacterial humoral response / protein homotetramerization / secretory granule lumen / killing of cells of another organism / cellular response to lipopolysaccharide / defense response to Gram-negative bacterium / defense response to Gram-positive bacterium / intracellular membrane-bounded organelle / innate immune response / protein homodimerization activity / extracellular space / extracellular region Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.403 Å | ||||||
Authors | Tolbert, W.D. / Gohain, N. / Pazgier, M. | ||||||
Citation | Journal: Immunity / Year: 2018 Title: Human Enteric alpha-Defensin 5 Promotes Shigella Infection by Enhancing Bacterial Adhesion and Invasion. Authors: Xu, D. / Liao, C. / Zhang, B. / Tolbert, W.D. / He, W. / Dai, Z. / Zhang, W. / Yuan, W. / Pazgier, M. / Liu, J. / Yu, J. / Sansonetti, P.J. / Bevins, C.L. / Shao, Y. / Lu, W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5cui.cif.gz | 89.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5cui.ent.gz | 70.1 KB | Display | PDB format |
PDBx/mmJSON format | 5cui.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cu/5cui ftp://data.pdbj.org/pub/pdb/validation_reports/cu/5cui | HTTPS FTP |
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-Related structure data
Related structure data | 5cujC 5cumC 1zmpS 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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Unit cell |
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Components on special symmetry positions |
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-Components
-Protein/peptide , 1 types, 6 molecules ABCDEF
#1: Protein/peptide | Mass: 3508.112 Da / Num. of mol.: 6 / Mutation: R28A / Source method: obtained synthetically / Details: This sequence occurs naturally in humans. / Source: (synth.) Homo sapiens (human) / References: UniProt: Q01523 |
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-Non-polymers , 5 types, 89 molecules
#2: Chemical | ChemComp-CL / #3: Chemical | ChemComp-PG0 / #4: Chemical | ChemComp-1PE / | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.85 Å3/Da / Density % sol: 68.05 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 2.5 M sodium chloride, 12% PEG 1500, 1.5% MPD, and 0.1M sodium acetate pH 5.5 PH range: 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.9795 Å |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Jul 4, 2015 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. all: 12932 / Num. obs: 12932 / % possible obs: 99.8 % / Redundancy: 6.5 % / Rmerge(I) obs: 0.152 / Net I/σ(I): 9 |
Reflection shell | Resolution: 2.4→2.44 Å / Redundancy: 6.6 % / Rmerge(I) obs: 0.903 / Mean I/σ(I) obs: 1.3 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1ZMP Resolution: 2.403→36.732 Å / SU ML: 0.29 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 20.88 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.403→36.732 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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