- PDB-7fx7: Crystal Structure of human FABP4 with binding site mutated to FAB... -
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IDまたはキーワード:
読み込み中...
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基本情報
登録情報
データベース: PDB / ID: 7fx7
タイトル
Crystal Structure of human FABP4 with binding site mutated to FABP5 in complex with 5-methylsulfanyl-2-[(4-phenylmethoxy-1H-indazol-3-yl)methylsulfanyl]pyrimidin-4-ol
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 / white fat cell differentiation / long-chain fatty acid transmembrane transporter activity / cellular response to lithium ion / long-chain fatty acid binding / long-chain fatty acid transport / Triglyceride catabolism / fatty acid transport / brown fat cell differentiation / lipid droplet ...hormone receptor binding / white fat cell differentiation / long-chain fatty acid transmembrane transporter activity / cellular response to lithium ion / long-chain fatty acid binding / long-chain fatty acid transport / Triglyceride catabolism / 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: 1.12→42.72 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.957 / SU B: 1.491 / SU ML: 0.03 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.04 / ESU R Free: 0.043 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: methyl group of methylsulfanyl moiety not defined by electron density thioether sulfur seems mobile, could be another conformation of ligand
Rfactor
反射数
%反射
Selection details
Rfree
0.2132
2330
5 %
RANDOM
Rwork
0.1692
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obs
0.1714
43879
95.67 %
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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