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- PDB-6ht0: Crystal structure of MLLT1 (ENL) YEATS domain in complexed with c... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6ht0 | ||||||
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Title | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with compound 94 | ||||||
![]() | Protein ENL | ||||||
![]() | TRANSCRIPTION / YEATS domain / ENL / MLLT1 / chemical probe / inhibitor / Structural Genomics / Structural Genomics Consortium / SGC | ||||||
Function / homology | ![]() RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / RNA Polymerase II Pre-transcription Events / transcription elongation factor complex / lysine-acetylated histone binding / fibrillar center / chromatin binding / positive regulation of DNA-templated transcription / nucleoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Heidenreich, D. / Chaikuad, A. / Moustakim, M. / Arrowsmith, C.H. / Edwards, A.M. / Bountra, C. / Fedorov, O. / Brennan, P.E. / Knapp, S. / Structural Genomics Consortium (SGC) | ||||||
![]() | ![]() Title: Discovery of an MLLT1/3 YEATS Domain Chemical Probe. Authors: Moustakim, M. / Christott, T. / Monteiro, O.P. / Bennett, J. / Giroud, C. / Ward, J. / Rogers, C.M. / Smith, P. / Panagakou, I. / Diaz-Saez, L. / Felce, S.L. / Gamble, V. / Gileadi, C. / ...Authors: Moustakim, M. / Christott, T. / Monteiro, O.P. / Bennett, J. / Giroud, C. / Ward, J. / Rogers, C.M. / Smith, P. / Panagakou, I. / Diaz-Saez, L. / Felce, S.L. / Gamble, V. / Gileadi, C. / Halidi, N. / Heidenreich, D. / Chaikuad, A. / Knapp, S. / Huber, K.V.M. / Farnie, G. / Heer, J. / Manevski, N. / Poda, G. / Al-Awar, R. / Dixon, D.J. / Brennan, P.E. / Fedorov, O. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 80.5 KB | Display | ![]() |
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PDB format | ![]() | 59.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 687.7 KB | Display | ![]() |
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Full document | ![]() | 689.2 KB | Display | |
Data in XML | ![]() | 9.1 KB | Display | |
Data in CIF | ![]() | 12.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6ht1C ![]() 5j9sS C: citing same article ( S: Starting model for refinement |
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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: 18312.080 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-SO4 / | ||||
#3: Chemical | ChemComp-EDO / #4: Chemical | ChemComp-GQ8 / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.04 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop Details: 25% PEG3350, 0.2M ammonium sulfate, 0.1M bis-tris pH 5.5 or 25% PEG Smear Medi-um, 0.1M citrate pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 2, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→45.77 Å / Num. obs: 15693 / % possible obs: 100 % / Redundancy: 10 % / Biso Wilson estimate: 28.1 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.059 / Rpim(I) all: 0.02 / Net I/σ(I): 17.6 |
Reflection shell | Resolution: 1.8→1.84 Å / Redundancy: 10.3 % / Rmerge(I) obs: 0.774 / Mean I/σ(I) obs: 2.6 / Num. unique obs: 9265 / CC1/2: 0.884 / Rpim(I) all: 0.263 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5J9S Resolution: 1.8→45.77 Å / Cor.coef. Fo:Fc: 0.961 / Cor.coef. Fo:Fc free: 0.945 / SU B: 6.323 / SU ML: 0.097 / Cross valid method: THROUGHOUT / ESU R: 0.136 / ESU R Free: 0.128 / 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: 33.919 Å2
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Refinement step | Cycle: 1 / Resolution: 1.8→45.77 Å
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Refine LS restraints |
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