5A2L

Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP

5A2L の概要

• エントリーDOI: 10.2210/pdb5a2l/pdb
• 関連するPDBエントリー: 5A2I 5A2J 5A2K
• 分子名称: SCFV-SM3, MODIFIED ANTIGEN TN, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: immune system, peptide binding protein, glycopeptides, antibodies, molecular recognition, conformation analysis, fusion protein
• 由来する生物種: MUS MUSCULUS (HOUSE MOUSE); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 26870.56

構造登録者

Martinez-Saez, N.,Castro-Lopez, J.,Valero-Gonzalez, J.,Madariaga, D.,Companon, I.,Somovilla, V.J.,Salvado, M.,Asensio, J.L.,Jimenez-Barbero, J.,Avenoza, A.,Busto, J.H.,Bernardes, G.J.L.,Peregrina, J.M.,Hurtado-Guerrero, R.,Corzana, F. (登録日: 2015-05-20, 公開日: 2015-06-03, 最終更新日: 2024-11-06)

主引用文献

Martinez-Saez, N.,Castro-Lopez, J.,Valero-Gonzalez, J.,Madariaga, D.,Companon, I.,Somovilla, V.J.,Salvado, M.,Asensio, J.L.,Jimenez-Barbero, J.,Avenoza, A.,Busto, J.H.,Bernardes, G.J.L.,Peregrina, J.M.,Hurtado-Guerrero, R.,Corzana, F.
Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54:9830-, 2015

PubMed Abstract: The structural features of MUC1-like glycopeptides bearing the Tn antigen (α-O-GalNAc-Ser/Thr) in complex with an anti MUC-1 antibody are reported at atomic resolution. For the α-O-GalNAc-Ser derivative, the glycosidic linkage adopts a high-energy conformation, barely populated in the free state. This unusual structure (also observed in an α-S-GalNAc-Cys mimic) is stabilized by hydrogen bonds between the peptidic fragment and the sugar. The selection of a particular peptide structure by the antibody is thus propagated to the carbohydrate through carbohydrate/peptide contacts, which force a change in the orientation of the sugar moiety. This seems to be unfeasible in the α-O-GalNAc-Thr glycopeptide owing to the more limited flexibility of the side chain imposed by the methyl group. Our data demonstrate the non-equivalence of Ser and Thr O-glycosylation points in molecular recognition processes. These features provide insight into the occurrence in nature of the APDTRP epitope for anti-MUC1 antibodies.

PubMed: 26118689
DOI: 10.1002/ANIE.201502813

実験手法

X-RAY DIFFRACTION (1.79 Å)