3LU8

Human serum albumin in complex with compound 3

3LU8 の概要

• エントリーDOI: 10.2210/pdb3lu8/pdb
• 関連するPDBエントリー: 3LU6 3LU7
• 分子名称: Serum albumin, N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide (3 entities in total)
• 機能のキーワード: binding sites, ligands, protein binding, serum albumin, hsa, proteros biostructures gmbh, transport protein, astrazeneca, drug design
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted: P02768
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 134025.48

構造登録者

Buttar, D.,Colclough, N.,Gerhardt, S.,MacFaul, P.A.,Phillips, S.D.,Plowright, A.,Whittamore, P.,Tam, K.,Maskos, K.,Steinbacher, S.,Steuber, H. (登録日: 2010-02-17, 公開日: 2010-10-27, 最終更新日: 2024-11-20)

主引用文献

Buttar, D.,Colclough, N.,Gerhardt, S.,Macfaul, P.A.,Phillips, S.D.,Plowright, A.,Whittamore, P.,Tam, K.,Maskos, K.,Steinbacher, S.,Steuber, H.
A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
Bioorg.Med.Chem., 18:7486-7496, 2010

PubMed Abstract: The displacement of probes that bind selectively to subdomains IIA or IIIA on human serum albumin (HSA) by competing compounds has been followed using fluorescence spectroscopy, and has therefore been used to assign a primary binding site for these compounds in the presence and absence of fatty acids. The crystal structures have also been solved for three compounds: a matched pair of carboxylic acids whose binding strength to HSA unexpectedly decreased as the lipophilicity increased; and a highly bound sulphonamide that appeared not to displace the probes in the displacement assay. The crystallography results support the findings from the fluorescence displacement assay. The results indicate that drug binding to subdomain IB might also be important location for certain compounds.

PubMed: 20869876
DOI: 10.1016/j.bmc.2010.08.052

実験手法

X-RAY DIFFRACTION (2.6 Å)