- PDB-7g1n: Crystal Structure of human FABP4 in complex with rac-(1R,2R)-2-[[... -
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基本情報
登録情報
データベース: PDB / ID: 7g1n
タイトル
Crystal Structure of human FABP4 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
要素
Fatty acid-binding protein, adipocyte
キーワード
LIPID BINDING PROTEIN / FATTY ACID BINDING PROTEIN / CYTOPLASM / LIPID-BINDING / TRANSPORT / PROTEIN BINDING
機能・相同性
機能・相同性情報
hormone receptor binding / long-chain fatty acid transmembrane transporter activity / cellular response to lithium ion / long-chain fatty acid binding / Triglyceride catabolism / white fat cell differentiation / fatty acid transport / long-chain fatty acid transport / brown fat cell differentiation / lipid droplet ...hormone receptor binding / long-chain fatty acid transmembrane transporter activity / cellular response to lithium ion / long-chain fatty acid binding / Triglyceride catabolism / white fat cell differentiation / fatty acid transport / long-chain fatty acid transport / brown fat cell differentiation / lipid droplet / cholesterol homeostasis / fatty acid binding / response to bacterium / Transcriptional regulation of white adipocyte differentiation / positive regulation of inflammatory response / cellular response to tumor necrosis factor / positive regulation of cold-induced thermogenesis / negative regulation of DNA-templated transcription / extracellular exosome / nucleus / cytoplasm / cytosol 類似検索 - 分子機能
構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.55→37.11 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.959 / SU B: 5.552 / SU ML: 0.08 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.101 / ESU R Free: 0.089 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: compound name wrong: (1S,2R), i.e. diastereomer bound with cis-configuration close contact of carboxylate with tyr128, consider replacement of carboxylate with CH2OH. density for oxadiazole ...詳細: compound name wrong: (1S,2R), i.e. diastereomer bound with cis-configuration close contact of carboxylate with tyr128, consider replacement of carboxylate with CH2OH. density for oxadiazole not well defined around N-O bond. phe57 pushed into solvent by ligand and side-chain disordered
Rfactor
反射数
%反射
Selection details
Rfree
0.2203
1033
5.1 %
RANDOM
Rwork
0.1669
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obs
0.1694
19370
94.31 %
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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: BABINET MODEL WITH MASK