+Open data
-Basic information
Entry | Database: PDB / ID: 7fbq | ||||||||||||
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Title | Human CLIC1 in complex with NSC602247 | ||||||||||||
Components | Chloride intracellular channel protein 1Chloride channel | ||||||||||||
Keywords | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Human / chloride intracellular channel 1 / CLIC1 / SMALL MOLECULE INHIBITOR / NSC602247 / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex | ||||||||||||
Function / homology | Function and homology information chloride transport / chloride channel activity / chloride channel complex / brush border / positive regulation of osteoblast differentiation / regulation of mitochondrial membrane potential / platelet aggregation / nuclear envelope / nuclear membrane / blood microparticle ...chloride transport / chloride channel activity / chloride channel complex / brush border / positive regulation of osteoblast differentiation / regulation of mitochondrial membrane potential / platelet aggregation / nuclear envelope / nuclear membrane / blood microparticle / vesicle / cadherin binding / perinuclear region of cytoplasm / endoplasmic reticulum / signal transduction / mitochondrion / extracellular space / extracellular exosome / membrane / nucleus / plasma membrane / cytoplasm Similarity search - Function | ||||||||||||
Biological species | Homo sapiens (human) | ||||||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | ||||||||||||
Authors | Kuila, S. / Sonkar, K.S. / Arulandu, A. | ||||||||||||
Funding support | India, 3items
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Citation | Journal: To Be Published Title: Human CLIC1 in complex with NSC602247 Authors: Kuila, S. / Sonkar, K.S. / Arulandu, A. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7fbq.cif.gz | 69.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7fbq.ent.gz | 47.2 KB | Display | PDB format |
PDBx/mmJSON format | 7fbq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fb/7fbq ftp://data.pdbj.org/pub/pdb/validation_reports/fb/7fbq | HTTPS FTP |
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-Related structure data
Related structure data | 1k0mS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 27112.812 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CLIC1, G6, NCC27 / Plasmid: pETM-30 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: O00299 |
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#2: Chemical | ChemComp-N70 / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 42.1 % / Description: square plates |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: Protein: 25mg/ml in 50 mM Tris-HCl, 150 mM NaCl, Reservoir: 150 mM MgCL2, 21.5% PEG 6000, 100 mM MES pH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU FR-E+ SUPERBRIGHT / Wavelength: 1.5418 Å | ||||||||||||||||||||||||
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Jun 21, 2017 | ||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 | ||||||||||||||||||||||||
Reflection | Resolution: 1.8→19.655 Å / Num. obs: 20809 / % possible obs: 94.5 % / Redundancy: 12.6 % / Biso Wilson estimate: 22.4 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.088 / Rpim(I) all: 0.026 / Net I/σ(I): 2.32 | ||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 1K0M Resolution: 1.8→19.655 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.922 / SU R Cruickshank DPI: 0.143 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.161 / SU Rfree Blow DPI: 0.135 / SU Rfree Cruickshank DPI: 0.128
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Displacement parameters | Biso max: 202.08 Å2 / Biso mean: 25 Å2 / Biso min: 11.24 Å2
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Refine analyze | Luzzati coordinate error obs: 0.23 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.8→19.655 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.835 Å / Rfactor Rfree error: 0
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