- PDB-8paw: Crystal structure of MST1 with a MAP4K1 SMOL inhibitor -
+
データを開く
IDまたはキーワード:
読み込み中...
-
基本情報
登録情報
データベース: PDB / ID: 8paw
タイトル
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
要素
Serine/threonine-protein kinase 4 37kDa subunit
キーワード
TRANSFERASE / kinase / inhibitor / drug discovery
機能・相同性
機能・相同性情報
positive regulation of hepatocyte apoptotic process / cell differentiation involved in embryonic placenta development / regulation of cell differentiation involved in embryonic placenta development / primitive hemopoiesis / neural tube formation / positive regulation of extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of substrate-dependent cell migration, cell attachment to substrate / endocardium development / negative regulation of organ growth / hippo signaling ...positive regulation of hepatocyte apoptotic process / cell differentiation involved in embryonic placenta development / regulation of cell differentiation involved in embryonic placenta development / primitive hemopoiesis / neural tube formation / positive regulation of extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of substrate-dependent cell migration, cell attachment to substrate / endocardium development / negative regulation of organ growth / hippo signaling / Signaling by Hippo / organ growth / branching involved in blood vessel morphogenesis / positive regulation of fat cell differentiation / hepatocyte apoptotic process / regulation of MAPK cascade / extrinsic apoptotic signaling pathway via death domain receptors / canonical Wnt signaling pathway / keratinocyte differentiation / epithelial cell proliferation / protein serine/threonine kinase activator activity / central nervous system development / protein tetramerization / negative regulation of canonical Wnt signaling pathway / cell morphogenesis / protein import into nucleus / negative regulation of epithelial cell proliferation / positive regulation of peptidyl-serine phosphorylation / positive regulation of protein binding / peptidyl-serine phosphorylation / protein autophosphorylation / RNA polymerase II-specific DNA-binding transcription factor binding / nuclear body / protein stabilization / non-specific serine/threonine protein kinase / protein kinase activity / intracellular signal transduction / positive regulation of protein phosphorylation / positive regulation of apoptotic process / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / apoptotic process / magnesium ion binding / signal transduction / protein homodimerization activity / protein-containing complex / nucleoplasm / ATP binding / identical protein binding / nucleus / cytoplasm / cytosol 類似検索 - 分子機能
Mst1 SARAH domain / C terminal SARAH domain of Mst1 / SARAH domain / SARAH domain profile. / : / p53-like tetramerisation domain superfamily / Serine/Threonine protein kinases, catalytic domain / Protein kinase domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. ...Mst1 SARAH domain / C terminal SARAH domain of Mst1 / SARAH domain / SARAH domain profile. / : / p53-like tetramerisation domain superfamily / Serine/Threonine protein kinases, catalytic domain / Protein kinase domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily 類似検索 - ドメイン・相同性
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: 1.0332 Å / 相対比: 1
反射
解像度: 2.14→48.98 Å / Num. obs: 49164 / % possible obs: 99.1 % / 冗長度: 7.2 % / Biso Wilson estimate: 39 Å2 / CC1/2: 0.998 / Rrim(I) all: 0.106 / Net I/σ(I): 14.81
反射 シェル
解像度: 2.14→2.27 Å / 冗長度: 6.8 % / Mean I/σ(I) obs: 2.32 / Num. unique obs: 7474 / CC1/2: 0.813 / Rrim(I) all: 0.761 / % possible all: 94.6
-
解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.8.0267
精密化
XDS
データ削減
XSCALE
データスケーリング
PHASER
位相決定
Coot
モデル構築
精密化
構造決定の手法: 分子置換 / 解像度: 2.14→48.98 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.936 / SU B: 7.297 / SU ML: 0.1 / 交差検証法: THROUGHOUT / ESU R: 0.177 / ESU R Free: 0.158 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.22581
2100
4.3 %
RANDOM
Rwork
0.19458
-
-
-
obs
0.19591
47064
99.05 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK