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Open data
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Basic information
Entry | Database: PDB / ID: 6hia | ||||||
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Title | The ATAD2 bromodomain in complex with compound 13 | ||||||
![]() | ATPase family AAA domain-containing protein 2 | ||||||
![]() | CYTOSOLIC PROTEIN / Bromodomain / ATAD2 / inhibitor / complex | ||||||
Function / homology | ![]() nucleosome disassembly / Hydrolases; Acting on acid anhydrides; In phosphorus-containing anhydrides / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / transcription initiation-coupled chromatin remodeling / nucleosome assembly / histone binding / chromatin binding / positive regulation of DNA-templated transcription / ATP hydrolysis activity / extracellular exosome ...nucleosome disassembly / Hydrolases; Acting on acid anhydrides; In phosphorus-containing anhydrides / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / transcription initiation-coupled chromatin remodeling / nucleosome assembly / histone binding / chromatin binding / positive regulation of DNA-templated transcription / ATP hydrolysis activity / extracellular exosome / nucleoplasm / ATP binding / nucleus Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sledz, P. / Caflisch, A. | ||||||
![]() | ![]() Title: Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Authors: Dolbois, A. / Batiste, L. / Wiedmer, L. / Dong, J. / Brutsch, M. / Huang, D. / Deerain, N.M. / Spiliotopoulos, D. / Cheng-Sanchez, I. / Laul, E. / Nevado, C. / Sledz, P. / Caflisch, 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 | ![]() | 45.8 KB | Display | ![]() |
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PDB format | ![]() | 30.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5f36SC ![]() 6epjC ![]() 6eptC ![]() 6epuC ![]() 6epvC ![]() 6epxC ![]() 6hi3C ![]() 6hi4C ![]() 6hi5C ![]() 6hi6C ![]() 6hi7C ![]() 6hi8C ![]() 6hibC ![]() 6hicC ![]() 6hidC ![]() 6hieC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 15453.514 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-G7N / ( |
#3: Chemical | ChemComp-SO4 / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.04 Å3/Da / Density % sol: 69.53 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.5 / Details: 2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Sep 21, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.99999 Å / Relative weight: 1 |
Reflection | Resolution: 1.897→39.569 Å / Num. obs: 38116 / % possible obs: 99.4 % / Redundancy: 5.75 % / CC1/2: 1 / Rrim(I) all: 0.06 / Net I/σ(I): 21.15 |
Reflection shell | Resolution: 1.9→2.01 Å / Redundancy: 5.59 % / Mean I/σ(I) obs: 1.95 / Num. unique obs: 6072 / CC1/2: 0.773 / Rrim(I) all: 0.857 / % possible all: 98.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5f36 Resolution: 1.897→39.569 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 27.06
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.897→39.569 Å
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Refine LS restraints |
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LS refinement shell |
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