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- PDB-5mg2: Crystal structure of the second bromodomain of human TAF1 in comp... -
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Basic information
Entry | Database: PDB / ID: 5mg2 | ||||||
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Title | Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | ||||||
![]() | Transcription initiation factor TFIID subunit 1 | ||||||
![]() | TRANSCRIPTION / Structural Genomics / Structural Genomics Consortium / SGC | ||||||
Function / homology | ![]() negative regulation of protein autoubiquitination / regulation of cell cycle G1/S phase transition / RNA polymerase I general transcription initiation factor activity / positive regulation of androgen receptor activity / transcription regulator inhibitor activity / RNA polymerase II general transcription initiation factor binding / cellular response to ATP / midbrain development / HIV Transcription Initiation / RNA Polymerase II HIV Promoter Escape ...negative regulation of protein autoubiquitination / regulation of cell cycle G1/S phase transition / RNA polymerase I general transcription initiation factor activity / positive regulation of androgen receptor activity / transcription regulator inhibitor activity / RNA polymerase II general transcription initiation factor binding / cellular response to ATP / midbrain development / HIV Transcription Initiation / RNA Polymerase II HIV Promoter Escape / Transcription of the HIV genome / RNA Polymerase II Promoter Escape / RNA Polymerase II Transcription Pre-Initiation And Promoter Opening / RNA Polymerase II Transcription Initiation / RNA Polymerase II Transcription Initiation And Promoter Clearance / transcription initiation at RNA polymerase I promoter / ubiquitin conjugating enzyme activity / transcription factor TFIID complex / MLL1 complex / RNA polymerase II general transcription initiation factor activity / positive regulation of transcription initiation by RNA polymerase II / RNA polymerase II core promoter sequence-specific DNA binding / histone acetyltransferase activity / RNA polymerase II preinitiation complex assembly / histone acetyltransferase / RNA Polymerase II Pre-transcription Events / TBP-class protein binding / negative regulation of ubiquitin-dependent protein catabolic process / regulation of signal transduction by p53 class mediator / nuclear receptor binding / transcription initiation at RNA polymerase II promoter / peptidyl-threonine phosphorylation / lysine-acetylated histone binding / mRNA transcription by RNA polymerase II / protein polyubiquitination / cellular response to UV / p53 binding / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / positive regulation of protein binding / kinase activity / ubiquitin-dependent protein catabolic process / peptidyl-serine phosphorylation / RNA polymerase II-specific DNA-binding transcription factor binding / Regulation of TP53 Activity through Phosphorylation / transcription regulator complex / sequence-specific DNA binding / transcription by RNA polymerase II / protein autophosphorylation / protein stabilization / non-specific serine/threonine protein kinase / protein kinase activity / cell cycle / protein heterodimerization activity / protein phosphorylation / negative regulation of gene expression / protein serine kinase activity / protein serine/threonine kinase activity / DNA damage response / chromatin / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / nucleoplasm / ATP binding / nucleus Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tallant, C. / Bouche, L. / Holton, S.J. / Fedorov, O. / Siejka, P. / Picaud, S. / Krojer, T. / Srikannathasan, V. / von Delft, F. / Arrowsmith, C.H. ...Tallant, C. / Bouche, L. / Holton, S.J. / Fedorov, O. / Siejka, P. / Picaud, S. / Krojer, T. / Srikannathasan, V. / von Delft, F. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Hartung, I.V. / Haendler, B. / Muller, S. / Huber, K.V.M. / Structural Genomics Consortium (SGC) | ||||||
![]() | ![]() Title: Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. Authors: Bouche, L. / Christ, C.D. / Siegel, S. / Fernandez-Montalvan, A.E. / Holton, S.J. / Fedorov, O. / Ter Laak, A. / Sugawara, T. / Stockigt, D. / Tallant, C. / Bennett, J. / Monteiro, O. / Diaz- ...Authors: Bouche, L. / Christ, C.D. / Siegel, S. / Fernandez-Montalvan, A.E. / Holton, S.J. / Fedorov, O. / Ter Laak, A. / Sugawara, T. / Stockigt, D. / Tallant, C. / Bennett, J. / Monteiro, O. / Diaz-Saez, L. / Siejka, P. / Meier, J. / Putter, V. / Weiske, J. / Muller, S. / Huber, K.V.M. / Hartung, I.V. / Haendler, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 79.2 KB | Display | ![]() |
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PDB format | ![]() | 59.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 698.2 KB | Display | ![]() |
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Full document | ![]() | 698.8 KB | Display | |
Data in XML | ![]() | 8.6 KB | Display | |
Data in CIF | ![]() | 11.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5n49C ![]() 3uv4S 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
#1: Protein | Mass: 15882.812 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P21675, histone acetyltransferase, non-specific serine/threonine protein kinase | ||||
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#2: Chemical | #3: Chemical | ChemComp-7M8 / | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.93 Å3/Da / Density % sol: 36.21 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 20%PEG 10K, 0.20 M NaCl, 0.1M citrate/phosphate pH 4.2 PH range: 4.2 - 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jan 15, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9794 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→101.08 Å / Num. obs: 24216 / % possible obs: 96.3 % / Redundancy: 7.4 % / Rmerge(I) obs: 0.061 / Rsym value: 0.035 / Net I/σ(I): 17.3 |
Reflection shell | Resolution: 1.75→1.85 Å / Redundancy: 7.8 % / Rmerge(I) obs: 0.693 / Mean I/σ(I) obs: 2.8 / Num. unique all: 3618 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3UV4 Resolution: 1.75→56.07 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.961 / SU B: 4.513 / SU ML: 0.064 / Cross valid method: THROUGHOUT / ESU R: 0.115 / ESU R Free: 0.095 / 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: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 41.255 Å2
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Refinement step | Cycle: 1 / Resolution: 1.75→56.07 Å
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Refine LS restraints |
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