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Open data
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Basic information
Entry | Database: PDB / ID: 6eg2 | ||||||
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Title | Crystal structure of human BRM in complex with compound 16 | ||||||
![]() | Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2 | ||||||
![]() | Hydrolase/Hydrolase Inhibitor / Helicase / ATPase / Chromatin remodeling / inhibitor / MBP fusion / Hydrolase-Hydrolase Inhibitor complex | ||||||
Function / homology | ![]() bBAF complex / npBAF complex / brahma complex / nBAF complex / GBAF complex / regulation of G0 to G1 transition / regulation of nucleotide-excision repair / regulation of mitotic metaphase/anaphase transition / ATP-dependent chromatin remodeler activity / SWI/SNF complex ...bBAF complex / npBAF complex / brahma complex / nBAF complex / GBAF complex / regulation of G0 to G1 transition / regulation of nucleotide-excision repair / regulation of mitotic metaphase/anaphase transition / ATP-dependent chromatin remodeler activity / SWI/SNF complex / positive regulation of double-strand break repair / positive regulation of T cell differentiation / intermediate filament cytoskeleton / positive regulation of stem cell population maintenance / RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known / regulation of G1/S transition of mitotic cell cycle / negative regulation of cell differentiation / carbohydrate transmembrane transporter activity / maltose binding / spermatid development / maltose transport / maltodextrin transmembrane transport / positive regulation of myoblast differentiation / ATP-dependent activity, acting on DNA / ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing / helicase activity / positive regulation of cell differentiation / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement / negative regulation of cell growth / RMTs methylate histone arginines / nervous system development / histone binding / outer membrane-bounded periplasmic space / transcription coactivator activity / hydrolase activity / transcription cis-regulatory region binding / chromatin remodeling / negative regulation of cell population proliferation / intracellular membrane-bounded organelle / negative regulation of DNA-templated transcription / chromatin binding / positive regulation of cell population proliferation / regulation of DNA-templated transcription / chromatin / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / DNA binding / nucleoplasm / ATP binding / nucleus Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhu, X. / Kulathila, R. / Hu, T. / Xie, X. | ||||||
![]() | ![]() Title: Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers. Authors: Papillon, J.P.N. / Nakajima, K. / Adair, C.D. / Hempel, J. / Jouk, A.O. / Karki, R.G. / Mathieu, S. / Mobitz, H. / Ntaganda, R. / Smith, T. / Visser, M. / Hill, S.E. / Hurtado, F.K. / ...Authors: Papillon, J.P.N. / Nakajima, K. / Adair, C.D. / Hempel, J. / Jouk, A.O. / Karki, R.G. / Mathieu, S. / Mobitz, H. / Ntaganda, R. / Smith, T. / Visser, M. / Hill, S.E. / Hurtado, F.K. / Chenail, G. / Bhang, H.C. / Bric, A. / Xiang, K. / Bushold, G. / Gilbert, T. / Vattay, A. / Dooley, J. / Costa, E.A. / Park, I. / Li, A. / Farley, D. / Lounkine, E. / Yue, Q.K. / Xie, X. / Zhu, X. / Kulathila, R. / King, D. / Hu, T. / Vulic, K. / Cantwell, J. / Luu, C. / Jagani, Z. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 138 KB | Display | ![]() |
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PDB format | ![]() | 105.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 696.9 KB | Display | ![]() |
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Full document | ![]() | 712 KB | Display | |
Data in XML | ![]() | 23.2 KB | Display | |
Data in CIF | ![]() | 31.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6eg3C ![]() 1fqaS ![]() 5hzrS 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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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 69653.055 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Gene: malE, Z5632, ECs5017, SMARCA2, BAF190B, BRM, SNF2A, SNF2L2 Production host: Escherichia coli References: UniProt: P0AEY0, UniProt: P51531, Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to facilitate cellular and subcellular movement | ||
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#2: Chemical | ChemComp-J7J / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.05 Å3/Da / Density % sol: 69.65 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 100mM Hepes pH7.5, 200mM sodium chloride, 8% isopropanol |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 20, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.98→120.688 Å / Num. obs: 23436 / % possible obs: 97.9 % / Redundancy: 12.7 % / Net I/σ(I): 18.2 |
Reflection shell | Resolution: 2.98→2.99 Å |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1FQA, 5HZR Resolution: 2.98→96.73 Å / Cor.coef. Fo:Fc: 0.8518 / Cor.coef. Fo:Fc free: 0.8471 / SU R Cruickshank DPI: 0.874 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.851 / SU Rfree Blow DPI: 0.41 / SU Rfree Cruickshank DPI: 0.418
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Displacement parameters | Biso max: 189.41 Å2 / Biso mean: 102.83 Å2 / Biso min: 36.11 Å2
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Refine analyze | Luzzati coordinate error obs: 0.552 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.98→96.73 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.98→3.11 Å / Rfactor Rfree error: 0 / Total num. of bins used: 12
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