- PDB-7g0e: Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarb... -
+
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: 7g0e
タイトル
Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM
要素
Fatty acid-binding protein 5
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
regulation of prostaglandin biosynthetic process / regulation of retrograde trans-synaptic signaling by endocanabinoid / lipid transport across blood-brain barrier / retrograde trans-synaptic signaling by endocannabinoid / negative regulation of D-glucose transmembrane transport / positive regulation of peroxisome proliferator activated receptor signaling pathway / regulation of sensory perception of pain / phosphatidylcholine biosynthetic process / retinoic acid binding / Differentiation of Keratinocytes in Interfollicular Epidermis in Mammalian Skin ...regulation of prostaglandin biosynthetic process / regulation of retrograde trans-synaptic signaling by endocanabinoid / lipid transport across blood-brain barrier / retrograde trans-synaptic signaling by endocannabinoid / negative regulation of D-glucose transmembrane transport / positive regulation of peroxisome proliferator activated receptor signaling pathway / regulation of sensory perception of pain / phosphatidylcholine biosynthetic process / retinoic acid binding / Differentiation of Keratinocytes in Interfollicular Epidermis in Mammalian Skin / Signaling by Retinoic Acid / long-chain fatty acid transmembrane transporter activity / Triglyceride catabolism / epidermis development / postsynaptic cytosol / long-chain fatty acid transport / postsynaptic density, intracellular component / fatty acid transport / secretory granule membrane / fatty acid binding / lipid metabolic process / glucose metabolic process / azurophil granule lumen / glucose homeostasis / positive regulation of cold-induced thermogenesis / postsynaptic density / synapse / lipid binding / Neutrophil degranulation / glutamatergic synapse / extracellular exosome / extracellular region / nucleoplasm / identical protein binding / nucleus / plasma membrane / cytosol / cytoplasm 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: 1.11→48.11 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.966 / SU B: 1.45 / SU ML: 0.029 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.034 / ESU R Free: 0.036 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: two puckers of cyclopentene, go along with partial SS-bond between Cys120 and Cys127
Rfactor
反射数
%反射
Selection details
Rfree
0.1913
2756
5.1 %
RANDOM
Rwork
0.1623
-
-
-
obs
0.1637
51803
91.6 %
-
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