3KCO

Room temperature neutron structure of D-Xylose Isomerase in complex with two Ni2+ cations and d12-D-glucose in the linear form (refined jointly with X-ray structure 3KBN)

3KCO の概要

• エントリーDOI: 10.2210/pdb3kco/pdb
• 関連するPDBエントリー: 3KBJ 3KBM 3KBN 3KBS 3KBV 3KBW 3KCJ 3KCL
• 分子名称: Xylose isomerase, NICKEL (II) ION, D-glucose, ... (4 entities in total)
• 機能のキーワード: xylose isomerase, deuterated glucose, carbohydrate metabolism, metal-binding, pentose shunt, xylose metabolism, isomerase
• 由来する生物種: Streptomyces rubiginosus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43639.53

構造登録者

Kovalevsky, A.Y.,Langan, P. (登録日: 2009-10-21, 公開日: 2010-06-16, 最終更新日: 2024-04-03)

主引用文献

Kovalevsky, A.Y.,Hanson, L.,Fisher, S.Z.,Mustyakimov, M.,Mason, S.A.,Forsyth, V.T.,Blakeley, M.P.,Keen, D.A.,Wagner, T.,Carrell, H.L.,Katz, A.K.,Glusker, J.P.,Langan, P.
Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18:688-699, 2010

PubMed Abstract: Conversion of aldo to keto sugars by the metalloenzyme D-xylose isomerase (XI) is a multistep reaction that involves hydrogen transfer. We have determined the structure of this enzyme by neutron diffraction in order to locate H atoms (or their isotope D). Two studies are presented, one of XI containing cadmium and cyclic D-glucose (before sugar ring opening has occurred), and the other containing nickel and linear D-glucose (after ring opening has occurred but before isomerization). Previously we reported the neutron structures of ligand-free enzyme and enzyme with bound product. The data show that His54 is doubly protonated on the ring N in all four structures. Lys289 is neutral before ring opening and gains a proton after this; the catalytic metal-bound water is deprotonated to hydroxyl during isomerization and O5 is deprotonated. These results lead to new suggestions as to how changes might take place over the course of the reaction.

PubMed: 20541506
DOI: 10.1016/j.str.2010.03.011

実験手法

NEUTRON DIFFRACTION (1.8 Å)
X-RAY DIFFRACTION (1.53 Å)