4TKB

The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lauric acid

4TKB の概要

• エントリーDOI: 10.2210/pdb4tkb/pdb
• 関連するPDBエントリー: 3WVM 3wbg 4TJZ 4TKH 4TKJ 4WBK
• 分子名称: Fatty acid-binding protein, heart, LAURIC ACID, HEXAETHYLENE GLYCOL, ... (4 entities in total)
• 機能のキーワード: human, fatty acid-binding protein, antiparallel beta barrel, lipid binding protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15644.00

構造登録者

Sugiyama, S.,Matsuoka, S.,Mizohata, E.,Matsuoka, D.,Ishida, H.,Hirose, M.,Kakinouchi, K.,Hara, T.,Murakami, S.,Inoue, T.,Murata, M. (登録日: 2014-05-26, 公開日: 2015-01-28, 最終更新日: 2024-03-20)

主引用文献

Matsuoka, S.,Sugiyama, S.,Matsuoka, D.,Hirose, M.,Lethu, S.,Ano, H.,Hara, T.,Ichihara, O.,Kimura, S.R.,Murakami, S.,Ishida, H.,Mizohata, E.,Inoue, T.,Murata, M.
Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54:1508-1511, 2015

PubMed Abstract: Long-chain fatty acids (FAs) with low water solubility require fatty-acid-binding proteins (FABPs) to transport them from cytoplasm to the mitochondria for energy production. However, the precise mechanism by which these proteins recognize the various lengths of simple alkyl chains of FAs with similar high affinity remains unknown. To address this question, we employed a newly developed calorimetric method for comprehensively evaluating the affinity of FAs, sub-Angstrom X-ray crystallography to accurately determine their 3D structure, and energy calculations of the coexisting water molecules using the computer program WaterMap. Our results clearly showed that the heart-type FABP (FABP3) preferentially incorporates a U-shaped FA of C10-C18 using a lipid-compatible water cluster, and excludes longer FAs using a chain-length-limiting water cluster. These mechanisms could help us gain a general understanding of how proteins recognize diverse lipids with different chain lengths.

PubMed: 25491543
DOI: 10.1002/anie.201409830

実験手法

X-RAY DIFFRACTION (0.86 Å)