+Open data
-Basic information
Entry | Database: PDB / ID: 2iwq | ||||||
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Title | 7th PDZ domain of Multiple PDZ Domain Protein MPDZ | ||||||
Components | MULTIPLE PDZ DOMAIN PROTEIN | ||||||
Keywords | SIGNALING PROTEIN / SGC / PDZ / MPDZ / MUPP1 / MUPP- 1 / MEMBRANE / PDZ DOMAIN / HOST- VIRUS INTERACTION / STRUCTURAL GENOMICS CONSORTIUM / SYNAPTOSOME / TIGHT JUNCTION | ||||||
Function / homology | Function and homology information tight junction assembly / apicolateral plasma membrane / bicellular tight junction / apical part of cell / postsynaptic density / apical plasma membrane / dendrite / plasma membrane / cytoplasm Similarity search - Function | ||||||
Biological species | HOMO SAPIENS (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||
Authors | Elkins, J.M. / Berridge, G. / Savitsky, P. / Smee, C.E.A. / Turnbull, A. / Ugochukwu, E. / Papagrigoriou, E. / Sundstrom, M. / Edwards, A. / Arrowsmith, C. ...Elkins, J.M. / Berridge, G. / Savitsky, P. / Smee, C.E.A. / Turnbull, A. / Ugochukwu, E. / Papagrigoriou, E. / Sundstrom, M. / Edwards, A. / Arrowsmith, C. / Weigelt, J. / Doyle, D.A. | ||||||
Citation | Journal: Protein Sci. / Year: 2007 Title: Structure of Pick1 and Other Pdz Domains Obtained with the Help of Self-Binding C-Terminal Extensions. Authors: Elkins, J.M. / Papagrigoriou, E. / Berridge, G. / Yang, X. / Phillips, C. / Gileadi, C. / Savitsky, P. / Doyle, D.A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2iwq.cif.gz | 32.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2iwq.ent.gz | 20.4 KB | Display | PDB format |
PDBx/mmJSON format | 2iwq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2iwq_validation.pdf.gz | 424.1 KB | Display | wwPDB validaton report |
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Full document | 2iwq_full_validation.pdf.gz | 425.4 KB | Display | |
Data in XML | 2iwq_validation.xml.gz | 6 KB | Display | |
Data in CIF | 2iwq_validation.cif.gz | 7.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/iw/2iwq ftp://data.pdbj.org/pub/pdb/validation_reports/iw/2iwq | HTTPS FTP |
-Related structure data
Related structure data | 2bygC 2fcfC 2fneC 2gzvC 2he2C 2he4C 2i1nC 2iwnC 2iwoC 2iwpC 1g90S 1i92S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 13613.521 Da / Num. of mol.: 1 / Fragment: 7TH PDZ DOMAIN, RESIDUES 1148-1243 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Plasmid: PNIC28-BSA4 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3)-R3ROSETTA / References: UniProt: O75970 |
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#2: Water | ChemComp-HOH / |
Sequence details | THE LAST 4 RESIDUES (1244-1247) ARE A CLONING ARTEFACT |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.75 Å3/Da / Density % sol: 29.6 % |
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Crystal grow | pH: 8.5 Details: 0.2M NAF, 0.1M BISTRIS PROPANE PH8.5, 20% PEG3350, 10% ETHYLENE GLYCOL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.979 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Feb 9, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→48.39 Å / Num. obs: 8738 / % possible obs: 99 % / Observed criterion σ(I): 0 / Redundancy: 6.6 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 21.9 |
Reflection shell | Resolution: 1.8→1.9 Å / Redundancy: 5.5 % / Rmerge(I) obs: 0.57 / Mean I/σ(I) obs: 2.3 / % possible all: 100 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1I92, 1G90 Resolution: 1.8→40.76 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.917 / SU B: 7.079 / SU ML: 0.106 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.136 / ESU R Free: 0.153 / 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: 38.92 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→40.76 Å
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Refine LS restraints |
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