+Open data
-Basic information
Entry | Database: PDB / ID: 1pu4 | |||||||||
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Title | Crystal structure of human vascular adhesion protein-1 | |||||||||
Components | Membrane copper amine oxidase | |||||||||
Keywords | OXIDOREDUCTASE / amine oxidase | |||||||||
Function / homology | Function and homology information aliphatic amine oxidase activity / primary-amine oxidase / primary amine oxidase activity / amine metabolic process / Phase I - Functionalization of compounds / microvillus / quinone binding / early endosome / cell adhesion / inflammatory response ...aliphatic amine oxidase activity / primary-amine oxidase / primary amine oxidase activity / amine metabolic process / Phase I - Functionalization of compounds / microvillus / quinone binding / early endosome / cell adhesion / inflammatory response / copper ion binding / protein heterodimerization activity / response to antibiotic / calcium ion binding / Golgi apparatus / cell surface / endoplasmic reticulum / membrane / identical protein binding / plasma membrane / cytoplasm Similarity search - Function | |||||||||
Biological species | Homo sapiens (human) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.2 Å | |||||||||
Authors | Salminen, T.A. / Airenne, T.T. | |||||||||
Citation | Journal: Protein Sci. / Year: 2005 Title: Crystal structure of the human vascular adhesion protein-1: unique structural features with functional implications. Authors: Airenne, T.T. / Nymalm, Y. / Kidron, H. / Smith, D.J. / Pihlavisto, M. / Salmi, M. / Jalkanen, S. / Johnson, M.S. / Salminen, T.A. #1: Journal: To be Published Title: Crystallization and preliminary X-ray analysis of the human vascular adhesion protein-1 Authors: Nymalm, Y. / Kidron, H. / Soderholm, A. / Viitanen, L. / Kaukonen, K. / Pihlavisto, M. / Smith, D. / Veromaa, T. / Airenne, T.T. / Johnson, M.S. / Salminen, T.A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1pu4.cif.gz | 283.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1pu4.ent.gz | 228.8 KB | Display | PDB format |
PDBx/mmJSON format | 1pu4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/pu/1pu4 ftp://data.pdbj.org/pub/pdb/validation_reports/pu/1pu4 | HTTPS FTP |
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-Related structure data
Related structure data | 1us1C 1ksiS 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
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-Components
#1: Protein | Mass: 84734.562 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: AOC3 OR VAP1 / Cell (production host): ovary cells / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: Q16853, EC: 1.4.3.6 #2: Polysaccharide | Source method: isolated from a genetically manipulated source #3: Sugar | #4: Chemical | #5: Chemical | ChemComp-CA / |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 3 |
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-Sample preparation
Crystal | Density Matthews: 4.75 Å3/Da / Density % sol: 74.12 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.8 Details: potassium/sodium tartrate, imidazole, sodium chloride, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X11 / Wavelength: 0.811 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Oct 5, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.811 Å / Relative weight: 1 |
Reflection | Resolution: 3.2→20 Å / Num. obs: 52367 / % possible obs: 95.9 % / Redundancy: 14.1 % / Biso Wilson estimate: 26.7 Å2 / Rmerge(I) obs: 0.02 / Net I/σ(I): 13.2 |
Reflection shell | Resolution: 3.2→3.3 Å / Redundancy: 13.5 % / Rmerge(I) obs: 0.464 / Mean I/σ(I) obs: 6 / Num. unique all: 4588 / % possible all: 97.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1KSI Resolution: 3.2→20 Å / Cor.coef. Fo:Fc: 0.907 / Cor.coef. Fo:Fc free: 0.868 / SU B: 16.555 / SU ML: 0.266 / Cross valid method: THROUGHOUT / ESU R: 1.054 / ESU R Free: 0.396 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.543 Å2
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Refinement step | Cycle: LAST / Resolution: 3.2→20 Å
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Refine LS restraints |
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Refine LS restraints NCS | Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 3.2→3.281 Å / Total num. of bins used: 20
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