- PDB-3hpt: Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-m... -
+
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: 3hpt
タイトル
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
coagulation factor Xa / Defective factor IX causes thrombophilia / Defective cofactor function of FVIIIa variant / Defective F9 variant does not activate FX / Extrinsic Pathway of Fibrin Clot Formation / positive regulation of leukocyte chemotaxis / positive regulation of TOR signaling / Gamma-carboxylation of protein precursors / Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus / Common Pathway of Fibrin Clot Formation ...coagulation factor Xa / Defective factor IX causes thrombophilia / Defective cofactor function of FVIIIa variant / Defective F9 variant does not activate FX / Extrinsic Pathway of Fibrin Clot Formation / positive regulation of leukocyte chemotaxis / positive regulation of TOR signaling / Gamma-carboxylation of protein precursors / Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus / Common Pathway of Fibrin Clot Formation / Removal of aminoterminal propeptides from gamma-carboxylated proteins / Intrinsic Pathway of Fibrin Clot Formation / phospholipid binding / Golgi lumen / blood coagulation / positive regulation of cell migration / endoplasmic reticulum lumen / external side of plasma membrane / serine-type endopeptidase activity / calcium ion binding / proteolysis / extracellular space / extracellular region / plasma membrane 類似検索 - 分子機能
THE BIOLOGICAL UNIT CONSISTS OF ONE LIGHT CHAIN (EGF-LIKE DOMAIN) AND ONE HEAVY CHAIN (CATALYTIC DOMAIN). THE ASYMMETRIC UNIT CONTAINS TWO BIOLOGICAL UNITS (CHAINS A,B AND CHAINS C,D). CHAINS A AND C ARE EGF-LIKE DOMAINS. CHAINS B AND D ARE CATALYTIC DOMAINS.
-
要素
-
Coagulation factor ... , 2種, 4分子 ACBD
#1: タンパク質
CoagulationfactorX / Stuart factor / Stuart-Prower factor / Factor X light chain
分子量: 10213.346 Da / 分子数: 2 / 断片: Factor X light chain: UNP residues 85-178 / 由来タイプ: 天然 / 由来: (天然) Homo sapiens (ヒト) / 組織: Blood / 参照: UniProt: P00742, coagulation factor Xa
#2: タンパク質
CoagulationfactorX / Stuart factor / Stuart-Prower factor / Activated factor Xa heavy chain
分子量: 26871.623 Da / 分子数: 2 断片: Activated factor Xa heavy chain: UNP residues 235-472 由来タイプ: 天然 / 由来: (天然) Homo sapiens (ヒト) / 組織: Blood / 参照: UniProt: P00742, coagulation factor Xa
モノクロメーター: Yale/MSC / 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: 1.54178 Å / 相対比: 1
反射
解像度: 2.19→50 Å / Num. obs: 35677 / % possible obs: 99.8 % / Observed criterion σ(I): 0 / 冗長度: 4.3 % / Rmerge(I) obs: 0.085 / Net I/σ(I): 14.8
反射 シェル
解像度: 2.19→2.28 Å / 冗長度: 3.3 % / Rmerge(I) obs: 0.438 / Mean I/σ(I) obs: 2.6 / % possible all: 99.9
-
解析
ソフトウェア
名称
バージョン
分類
AMoRE
位相決定
REFMAC
5.2.0019
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
精密化
構造決定の手法: 分子置換 / 解像度: 2.19→50 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.922 / SU B: 5.665 / SU ML: 0.147 / 交差検証法: THROUGHOUT / ESU R: 0.28 / ESU R Free: 0.218 / 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
0.23868
1781
5 %
RANDOM
Rwork
0.17567
-
-
-
obs
0.17886
33872
99.38 %
-
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