1OD9

N-terminal of Sialoadhesin in complex with Me-a-9-N-benzoyl-amino-9-deoxy-Neu5Ac (BENZ compound)

1OD9 の概要

• エントリーDOI: 10.2210/pdb1od9/pdb
• 関連するPDBエントリー: 1OD7 1ODA 1QFO 1QFP
• 分子名称: SIALOADHESIN, methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: lectin/immune system, immune system, immunoglobulin superfamily, carbohydrate binding, siglec, inhibitor design, lectin-immune system complex
• 由来する生物種: MUS MUSCULUS (MOUSE)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 13841.59

構造登録者

Zaccai, N.R.,Maenaka, K.,Maenaka, T.,Crocker, P.R.,Brossmer, R.,Kelm, S.,Jones, E.Y. (登録日: 2003-02-14, 公開日: 2003-05-16, 最終更新日: 2024-11-20)

主引用文献

Zaccai, N.R.,Maenaka, K.,Maenaka, T.,Crocker, P.R.,Brossmer, R.,Kelm, S.,Jones, E.Y.
Structure-Guided Design of Sialic Acid-Based Siglec Inhibitors and Crystallographic Analysis in Complex with Sialoadhesin
Structure, 11:557-, 2003

PubMed Abstract: The Siglec family of receptors mediates cell surface interactions through recognition of sialylated glycoconjugates. The crystal structure of the N-terminal immunoglobulin-like domain of the Siglec sialoadhesin (SnD1) in complex with 2,3-sialyllactose has informed the design of sialic acid analogs (sialosides) that bind Siglecs with significantly enhanced affinities and specificities. Binding assays against sialoadhesin (Sn; Siglec-1), CD22 (Siglec-2), and MAG (Siglec-4) show a 10- to 300-fold reduction in IC(50) values (relative to methyl-alpha-Neu5Ac) for three sialosides bearing aromatic group modifications of the glycerol side chain: Me-alpha-9-N-benzoyl-amino-9-deoxy-Neu5Ac (BENZ), Me-alpha-9-N-(naphthyl-2-carbonyl)-amino-9-deoxy-Neu5Ac (NAP), and Me-alpha-9-N-(biphenyl-4-carbonyl)-amino-9-deoxy-Neu5Ac (BIP). Crystal structures of these sialosides in complex with SnD1 suggest explanations for the differences in specificity and affinity, providing further ideas for compound design of physiological and potentially therapeutic relevance.

PubMed: 12737821
DOI: 10.1016/S0969-2126(03)00073-X

実験手法

X-RAY DIFFRACTION (2.1 Å)