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Open data
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Basic information
Entry | Database: PDB / ID: 7ugl | ||||||
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Title | Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30 | ||||||
![]() | Histone acetyltransferase | ||||||
![]() | TRANSCRIPTION / bromodomain / small molecule ligand / complex | ||||||
Function / homology | ![]() histone acetyltransferase complex / histone acetyltransferase activity / histone acetyltransferase / chromatin DNA binding / transcription regulator complex / transcription coactivator activity / nuclear body / positive regulation of transcription by RNA polymerase II / nucleoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Schonbrunn, E. / Bikowitz, M. | ||||||
Funding support | 1items
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![]() | ![]() Title: Structural basis of CBP and EP300 interaction with kinase inhibitors Authors: Schonbrunn, E. / Bikowitz, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 131 KB | Display | ![]() |
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PDB format | ![]() | 100.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 15.8 KB | Display | |
Data in CIF | ![]() | 22.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7ug5C ![]() 7ugeC ![]() 7ugfC ![]() 7ugiC ![]() 8fupC ![]() 7kpyS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 13847.882 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 51.08 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop Details: 0.1 M DL-Glutamic acid monohydrate; 0.1 M DL-Alanine; 0.1 M Glycine; 0.1 M DL-Lysine monohydrochloride; 0.1 M DL-Serine, 0.1 M Imidazole, 0.1 M MES monohydrate (pH 6.5), 12 % (v/v) Ethylene ...Details: 0.1 M DL-Glutamic acid monohydrate; 0.1 M DL-Alanine; 0.1 M Glycine; 0.1 M DL-Lysine monohydrochloride; 0.1 M DL-Serine, 0.1 M Imidazole, 0.1 M MES monohydrate (pH 6.5), 12 % (v/v) Ethylene glycol, 6% w/v PEG 8000 |
-Data collection
Diffraction | Mean temperature: 93 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 24, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.03319 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→40.54 Å / Num. obs: 43721 / % possible obs: 99.6 % / Redundancy: 6.6 % / CC1/2: 0.997 / Rrim(I) all: 0.132 / Net I/σ(I): 11.9 |
Reflection shell | Resolution: 1.5→1.54 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 3.1 / Num. unique obs: 3213 / CC1/2: 0.865 / Rrim(I) all: 0.818 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7KPY Resolution: 1.5→40.54 Å / SU ML: 0.16 / Cross valid method: THROUGHOUT / σ(F): 1.38 / Phase error: 17.73 / 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 74.31 Å2 / Biso mean: 20.4804 Å2 / Biso min: 9.48 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.5→40.54 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 12
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Refinement TLS params. | Method: refined / Origin x: -16.3893 Å / Origin y: 14.4327 Å / Origin z: -20.5116 Å
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Refinement TLS group |
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