- PDB-5ku3: BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-... -
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基本情報
登録情報
データベース: PDB / ID: 5ku3
タイトル
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
要素
Bromodomain-containing protein 4
キーワード
TRANSFERASE / BRD4 bromodomain
機能・相同性
機能・相同性情報
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 類似検索 - 分子機能
Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / : / NET domain superfamily / NET domain profile. / Brdt, bromodomain, repeat II / Brdt, bromodomain, repeat I / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain-like ...Bromodomain protein 4, C-terminal / C-terminal domain of bromodomain protein 4 / : / NET domain superfamily / NET domain profile. / Brdt, bromodomain, repeat II / Brdt, bromodomain, repeat I / NET domain / Bromodomain extra-terminal - transcription regulation / Bromodomain-like / Histone Acetyltransferase; Chain A / Bromodomain, conserved site / Bromodomain signature. / Bromodomain / Bromodomain profile. / bromo domain / Bromodomain / Bromodomain-like superfamily / Up-down Bundle / Mainly Alpha 類似検索 - ドメイン・相同性
Chem-6XH / DI(HYDROXYETHYL)ETHER / Bromodomain-containing protein 4 類似検索 - 構成要素
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
波長: 1 Å / 相対比: 1
反射
解像度: 1.14→50 Å / Num. obs: 47352 / % possible obs: 97.6 % / 冗長度: 3.9 % / Rmerge(I) obs: 0.116 / Net I/av σ(I): 20.775 / Net I/σ(I): 6.2
反射 シェル
解像度 (Å)
冗長度 (%)
Rmerge(I) obs
CC1/2
Diffraction-ID
% possible all
1.14-1.18
3.4
0.633
0.744
1
97.9
1.18-1.23
3.9
0.531
0.826
1
99
1.23-1.28
3.9
0.417
0.883
1
99.2
1.28-1.35
3.8
0.336
0.898
1
98.7
1.35-1.44
4.1
0.268
0.922
1
99
1.44-1.55
4
0.205
0.941
1
98.6
1.55-1.7
4
0.164
0.96
1
98.3
1.7-1.95
4.1
0.142
0.965
1
97.3
1.95-2.46
3.9
0.118
0.978
1
96.7
2.46-50
4
0.104
0.979
1
91.5
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位相決定
位相決定
手法: 分子置換
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解析
ソフトウェア
名称
バージョン
分類
DENZO
データ削減
SCALEPACK
データスケーリング
PHASER
位相決定
REFMAC
5.8.0049
精密化
PDB_EXTRACT
3.2
データ抽出
精密化
構造決定の手法: 分子置換 / 解像度: 1.14→50 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.967 / SU R Cruickshank DPI: 0.0396 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.04 / ESU R Free: 0.038 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY