4KC4

Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate

4KC4 の概要

• エントリーDOI: 10.2210/pdb4kc4/pdb
• 関連するPDBエントリー: 4KC1 4KC2
• 分子名称: Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside, ... (5 entities in total)
• 機能のキーワード: gta superfamily, blood group proteins, glycosyltransferase, fuc-gal, udp-gal, udp-galnac, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Golgi apparatus, Golgi stack membrane; Single-pass type II membrane protein: P16442
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34768.94

構造登録者

Cuesta-Seijo, J.A.,Wang, S.,Lafont, D.,Vidal, S.,Palcic, M.M. (登録日: 2013-04-24, 公開日: 2013-09-11, 最終更新日: 2023-09-20)

主引用文献

Wang, S.,Cuesta-Seijo, J.A.,Lafont, D.,Palcic, M.M.,Vidal, S.
Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate.
Chemistry, 19:15346-15357, 2013

PubMed Abstract: A series of ten glycosyltransferase inhibitors has been designed and synthesized by using pyridine as a pyrophosphate surrogate. The series was prepared by conjugation of carbohydrate, pyridine, and nucleoside building blocks by using a combination of glycosylation, the Staudinger-Vilarrasa amide-bond formation, and azide-alkyne click chemistry. The compounds were evaluated as inhibitors of five metal-dependent galactosyltransferases. Crystallographic analyses of three inhibitors complexed in the active site of one of the enzymes confirmed that the pyridine moiety chelates the Mn(2+) ion causing a slight displacement (2 Å) from its original position. The carbohydrate head group occupies a different position than in the natural uridine diphosphate (UDP)-Gal substrate with little interaction with the enzyme.

PubMed: 24108680
DOI: 10.1002/chem.201301871

実験手法

X-RAY DIFFRACTION (1.6 Å)