- PDB-2h84: Crystal Structure of the C-terminal Type III Polyketide Synthase ... -
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基本情報
登録情報
データベース: PDB / ID: 2h84
タイトル
Crystal Structure of the C-terminal Type III Polyketide Synthase (PKS III) Domain of 'Steely1' (a Type I/III PKS Hybrid from Dictyostelium)
要素
Steely1
キーワード
BIOSYNTHETIC PROTEIN / TRANSFERASE / thiolase-fold / type III polyketide synthase / PKS / chalcone-stilbene synthase superfamily / type I PKS / type I fatty acid synthase / FAS
機能・相同性
機能・相同性情報
resorcinol metabolic process / sorocarp sorus development / sorocarp stalk cell differentiation / sorocarp spore cell differentiation / Vitamin B5 (pantothenate) metabolism / Fatty acyl-CoA biosynthesis / chemotaxis to cAMP / chalcone synthase / naringenin-chalcone synthase activity / aggregation involved in sorocarp development ...resorcinol metabolic process / sorocarp sorus development / sorocarp stalk cell differentiation / sorocarp spore cell differentiation / Vitamin B5 (pantothenate) metabolism / Fatty acyl-CoA biosynthesis / chemotaxis to cAMP / chalcone synthase / naringenin-chalcone synthase activity / aggregation involved in sorocarp development / flavonoid biosynthetic process / polyketide biosynthetic process / fatty acid synthase activity / regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway / 3-oxoacyl-[acyl-carrier-protein] synthase activity / 転移酵素; アシル基を移すもの; アミノアシル基以外のアシル基を移すもの / fatty acid biosynthetic process / oxidoreductase activity / negative regulation of gene expression / positive regulation of gene expression / signal transduction 類似検索 - 分子機能
解像度: 2.9→39.13 Å / FOM work R set: 0.846 / Isotropic thermal model: anisotropic / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber 詳細: non-crystallographic symmetry (ncs) restraints were increasingly relaxed, and not used in final refinements.
Rfactor
反射数
%反射
Selection details
Rfree
0.233
883
4.9 %
Random
Rwork
0.199
-
-
-
all
0.201
17940
-
-
obs
0.201
17482
97.4 %
-
溶媒の処理
Bsol: 26.031 Å2
原子変位パラメータ
Biso mean: 21.646 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.572 Å2
0 Å2
0 Å2
2-
-
-2.985 Å2
0 Å2
3-
-
-
5.557 Å2
精密化ステップ
サイクル: LAST / 解像度: 2.9→39.13 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
5564
0
19
366
5949
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
X-RAY DIFFRACTION
c_mcbond_it
1.117
1.5
X-RAY DIFFRACTION
c_scbond_it
1.61
2
X-RAY DIFFRACTION
c_mcangle_it
1.936
2
X-RAY DIFFRACTION
c_scangle_it
2.534
2.5
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 17