3KVL

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution

3KVL の概要

• エントリーDOI: 10.2210/pdb3kvl/pdb
• 関連するPDBエントリー: 3KVJ 3KVK 3KVM
• 分子名称: Dihydroorotate dehydrogenase, mitochondrial, SULFATE ION, FLAVIN MONONUCLEOTIDE, ... (8 entities in total)
• 機能のキーワード: protein-antiproliferative agent complex, oxidoreductase, flavoprotein, fmn, membrane, mitochondrion, mitochondrion inner membrane, polymorphism, pyrimidine biosynthesis, transit peptide, transmembrane
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Mitochondrion inner membrane ; Single-pass membrane protein : Q02127
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43934.70

構造登録者

McLean, L.,Zhang, Y. (登録日: 2009-11-30, 公開日: 2010-03-02, 最終更新日: 2023-09-06)

主引用文献

McLean, L.R.,Zhang, Y.,Degnen, W.,Peppard, J.,Cabel, D.,Zou, C.,Tsay, J.T.,Subramaniam, A.,Vaz, R.J.,Li, Y.
Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20:1981-1984, 2010

PubMed Abstract: Amino-benzoic acid derivatives 1-4 were found to be inhibitors for DHODH by virtual screening, biochemical, and X-ray crystallographic studies. X-ray structures showed that 1 and 2 bind to DHODH as predicted by virtual screening, but 3 and 4 were found to be structurally different from the corresponding compounds initially identified by virtual screening.

PubMed: 20153645
DOI: 10.1016/j.bmcl.2010.01.115

実験手法

X-RAY DIFFRACTION (1.85 Å)