7Z57

Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate)

7Z57 の概要

• エントリーDOI: 10.2210/pdb7z57/pdb
• 分子名称: Albumin, (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, ... (6 entities in total)
• 機能のキーワード: serum albumin, lipid binder, transport 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: 68818.67

構造登録者

Liberi, S.,Moro, G.,Vascon, F.,Linciano, S.,De Toni, L.,Angelini, A.,Cendron, L. (登録日: 2022-03-08, 公開日: 2022-10-12, 最終更新日: 2025-06-11)

主引用文献

Moro, G.,Liberi, S.,Vascon, F.,Linciano, S.,De Felice, S.,Fasolato, S.,Foresta, C.,De Toni, L.,Di Nisio, A.,Cendron, L.,Angelini, A.
Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds.
Chem.Res.Toxicol., 35:2049-2058, 2022

PubMed Abstract: The current trend dealing with the production of per- and polyfluoroalkyl substances (PFASs) involves the shifting toward branched short-chain fluorinated compounds known as new-generation PFASs. A key aspect to be clarified, to address the adverse health effects associated with the exposure to PFASs, is their binding mode to human serum albumin (hSA), the most abundant protein in plasma. In this study, we investigated the interaction between hSA and two representative branched short-chain PFASs, namely, HPFO-DA and C6O4. In-solution studies revealed that both compounds bind hSA with affinities and stoichiometries lower than that of the legacy long-chain perfluoroalkyl compound PFOA. Competition experiments using hSA-binding drugs with known site-selectivity revealed that both HPFO-DA and C6O4 bound to pockets located in subdomain IIIA. The crystal structure of hSA in complex with HPFO-DA unveiled the presence of two binding sites. The characterization and direct comparison of hSA interactions with new-generation PFASs may be key elements for the understanding of the toxicological impact of these compounds.

PubMed: 36148994
DOI: 10.1021/acs.chemrestox.2c00211

実験手法

X-RAY DIFFRACTION (2.2 Å)