- PDB-7ful: Crystal Structure of human cyclic GMP-AMP synthase in complex wit... -
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基本情報
登録情報
データベース: PDB / ID: 7ful
タイトル
Crystal Structure of human cyclic GMP-AMP synthase in complex with 6-(2-chloro-4-methylphenyl)-3-[3-(methanesulfonamido)propyl]benzimidazole-4-carboxylic acid
要素
Cyclic GMP-AMP synthase
キーワード
TRANSFERASE / IMMUNE RESPONSE / NTASE / DNA SENSOR
機能・相同性
機能・相同性情報
cyclic GMP-AMP synthase / 2',3'-cyclic GMP-AMP synthase activity / STING mediated induction of host immune responses / paracrine signaling / poly-ADP-D-ribose modification-dependent protein binding / regulation of immunoglobulin production / cGAS/STING signaling pathway / pattern recognition receptor signaling pathway / regulation of T cell activation / cytoplasmic pattern recognition receptor signaling pathway ...cyclic GMP-AMP synthase / 2',3'-cyclic GMP-AMP synthase activity / STING mediated induction of host immune responses / paracrine signaling / poly-ADP-D-ribose modification-dependent protein binding / regulation of immunoglobulin production / cGAS/STING signaling pathway / pattern recognition receptor signaling pathway / regulation of T cell activation / cytoplasmic pattern recognition receptor signaling pathway / negative regulation of cGAS/STING signaling pathway / cGMP-mediated signaling / cellular response to exogenous dsRNA / positive regulation of type I interferon production / nucleosome binding / negative regulation of double-strand break repair via homologous recombination / positive regulation of defense response to virus by host / phosphatidylinositol-4,5-bisphosphate binding / activation of innate immune response / cAMP-mediated signaling / molecular condensate scaffold activity / determination of adult lifespan / positive regulation of cellular senescence / double-stranded DNA binding / site of double-strand break / defense response to virus / nuclear body / DNA repair / innate immune response / chromatin binding / DNA damage response / GTP binding / protein homodimerization activity / DNA binding / nucleoplasm / ATP binding / nucleus / metal ion binding / plasma membrane / cytoplasm / cytosol 類似検索 - 分子機能
温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 7 詳細: 10-12 mg/mL protein in 25 mM Tris/HCl pH7.5, 500mM NaCl, 2mM TCEP, supplemented with 10x molar excess of ligand and, if needed, with 10 mM MgCl2 and 5mM ATP, then mixed 1:1 with reservoir of ...詳細: 10-12 mg/mL protein in 25 mM Tris/HCl pH7.5, 500mM NaCl, 2mM TCEP, supplemented with 10x molar excess of ligand and, if needed, with 10 mM MgCl2 and 5mM ATP, then mixed 1:1 with reservoir of the Procomplex screen. Several conditions resulted in crystals.
構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 2.296→62.913 Å / SU ML: 0.38 / 交差検証法: THROUGHOUT / σ(F): 1.35 / 位相誤差: 32.46 / 立体化学のターゲット値: ML 詳細: propy linker not well defined by electron density. sulfonamide rotated to satisfy torsion angle
Rfactor
反射数
%反射
Selection details
Rfree
0.2732
664
4.82 %
RANDOM
Rwork
0.1905
13103
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obs
0.1946
13767
82.18 %
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溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL