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- SASDBC6: Compound 6:BRD4 (2:1) (Bromodomain-containing protein 4, BRD4) -

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Open data


ID or keywords:

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Basic information

Entry
Database: SASBDB / ID: SASDBC6
SampleCompound 6:BRD4 (2:1)
  • Bromodomain-containing protein 4 (protein), BRD4, Homo sapiens
Function / homology
Function and homology information


RNA polymerase II C-terminal domain binding / negative regulation of DNA damage checkpoint / P-TEFb complex binding / negative regulation by host of viral transcription / positive regulation of T-helper 17 cell lineage commitment / positive regulation of G2/M transition of mitotic cell cycle / histone reader activity / RNA polymerase II CTD heptapeptide repeat kinase activity / condensed nuclear chromosome / positive regulation of transcription elongation by RNA polymerase II ...RNA polymerase II C-terminal domain binding / negative regulation of DNA damage checkpoint / P-TEFb complex binding / negative regulation by host of viral transcription / positive regulation of T-helper 17 cell lineage commitment / positive regulation of G2/M transition of mitotic cell cycle / histone reader activity / RNA polymerase II CTD heptapeptide repeat kinase activity / condensed nuclear chromosome / positive regulation of transcription elongation by RNA polymerase II / transcription coregulator activity / lysine-acetylated histone binding / p53 binding / chromosome / regulation of inflammatory response / positive regulation of canonical NF-kappaB signal transduction / Potential therapeutics for SARS / transcription coactivator activity / transcription cis-regulatory region binding / chromatin remodeling / DNA damage response / chromatin binding / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription / enzyme binding / positive regulation of transcription by RNA polymerase II / nucleoplasm / nucleus
Similarity search - Function
Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / Brdt, bromodomain, repeat II / Brdt, bromodomain, repeat I / NET domain superfamily / NET domain profile. / : / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain, conserved site ...Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / Brdt, bromodomain, repeat II / Brdt, bromodomain, repeat I / NET domain superfamily / NET domain profile. / : / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain, conserved site / Bromodomain signature. / Bromodomain / Bromodomain profile. / bromo domain / Bromodomain / Bromodomain-like superfamily
Similarity search - Domain/homology
Bromodomain-containing protein 4
Similarity search - Component
Biological speciesHomo sapiens (human)
CitationDate: 2016 Oct 24
Title: Potent and selective bivalent inhibitors of BET bromodomains
Authors: Waring M / Chen H / Rabow A / Walker G / Bobby R / Boiko S / Bradbury R / Callis R / Clark E / Dale I / Daniels D / Dulak A / Flavell L / Holdgate G / Jowitt T / Kikhney A / McAlister M / ...Authors: Waring M / Chen H / Rabow A / Walker G / Bobby R / Boiko S / Bradbury R / Callis R / Clark E / Dale I / Daniels D / Dulak A / Flavell L / Holdgate G / Jowitt T / Kikhney A / McAlister M / Méndez J / Ogg D / Patel J / Petteruti P / Robb G / Robers M / Saif S / Stratton N / Svergun D / Wang W / Whittaker D / Wilson D
Contact author
  • Al Kikhney (EMBL-Hamburg, European Molecular Biology Laboratory (EMBL) - Hamburg outstation, Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany)

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Models

Model #588
Type: dummy / Software: DAMMIF (r4556) / Radius of dummy atoms: 3.60 A / Chi-square value: 2.568
Search similar-shape structures of this assembly by Omokage search (details)
Model #768
Type: mix / Software: RANCH / Radius of dummy atoms: 1.90 A / Chi-square value: 4.087
Search similar-shape structures of this assembly by Omokage search (details)

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Sample

SampleName: Compound 6:BRD4 (2:1) / Specimen concentration: 1.00-10.00
BufferName: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride
pH: 7.4
Entity #394Name: BRD4 / Type: protein / Description: Bromodomain-containing protein 4 / Formula weight: 55.836 / Num. of mol.: 1 / Source: Homo sapiens / References: UniProt: O60885
Sequence: MAHHHHHHSS GVDLGTENLY FQSMMSAESG PGTRLRNLPV MGDGLETSQM STTQAQAQPQ PANAASMNPP PPETSNPNKP KRQTNQLQYL LRVVLKTLWK HQFAWPFQQP VDAVKLNLPD YYKIIKTPMD MGTIKKRLEN NYYWNAQECI QDFNTMFTNC YIYNKPGDDI ...Sequence:
MAHHHHHHSS GVDLGTENLY FQSMMSAESG PGTRLRNLPV MGDGLETSQM STTQAQAQPQ PANAASMNPP PPETSNPNKP KRQTNQLQYL LRVVLKTLWK HQFAWPFQQP VDAVKLNLPD YYKIIKTPMD MGTIKKRLEN NYYWNAQECI QDFNTMFTNC YIYNKPGDDI VLMAEALEKL FLQKINELPT EETEIMIVQA KGRGRGRKET GTAKPGVSTV PNTTQASTPP QTQTPQPNPP PVQATPHPFP AVTPDLIVQT PVMTVVPPQP LQTPPPVPPQ PQPPPAPAPQ PVQSHPPIIA ATPQPVKTKK GVKRKADTTT PTTIDPIHEP PSLPPEPKTT KLGQRRESSR PVKPPKKDVP DSQQHPAPEK SSKVSEQLKC CSGILKEMFA KKHAAYAWPF YKPVDVEALG LHDYCDIIKH PMDMSTIKSK LEAREYRDAQ EFGADVRLMF SNCYKYNPPD HEVVAMARKL QDVFEMRFAK MPDEPEEPVV AVSSPAVPPP T

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Experimental information

BeamInstrument name: ESRF BM29 / City: Grenoble / 国: France / Type of source: X-ray synchrotron / Wavelength: 0.0992 Å / Dist. spec. to detc.: 2.87 mm
DetectorName: Pilatus 1M
Scan
Title: Compound 6:BRD4 (2:1) / Measurement date: Feb 8, 2015 / Exposure time: 0.2 sec. / Number of frames: 50 / Unit: 1/nm /
MinMax
Q0.1127 4.9752
Distance distribution function P(R)
Sofotware P(R): GNOM 5.0 / Number of points: 306 /
MinMax
Q0.112728 1.5596
P(R) point1 306
R0 17.34
Result
Type of curve: extrapolated
Comments: A pool of 10000 models comprising two rigid bromodomains (residues 42-168, PDB ID: 2oss and 349-458, PDB ID: 2yem) connected by a flexible linker, N-terminal tag and flexible N- and C- ...Comments: A pool of 10000 models comprising two rigid bromodomains (residues 42-168, PDB ID: 2oss and 349-458, PDB ID: 2yem) connected by a flexible linker, N-terminal tag and flexible N- and C-termini were generated by the program RANCH (EOM). The scattering from each model from the pool was calculated with the program CRYSOL. For the 100 models best fitting the experimental scattering the histograms of the distances between the centres of the two bromodomains were computed; the average distance was 6.3±1.8 nm, the average Rg was 4.4±0.2 nm.
ExperimentalStandard
MW31 kDa31 kDa

P(R)GuinierGuinier error
Forward scattering, I031.24 30.91 -
Radius of gyration, Rg4.638 nm4.44 nm0.22

MinMax
D-17.3
Guinier point1 31

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