3QLY

Candida glabrata dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A)

3QLY の概要

• エントリーDOI: 10.2210/pdb3qly/pdb
• 関連するPDBエントリー: 3CSE 3EEJ 3EEK 3EEL 3EEM
• 分子名称: Strain CBS138 chromosome J complete sequence, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine, ... (4 entities in total)
• 機能のキーワード: antifungal agents, candida glabrata, drug design, enzyme inhibitors, fungal proteins, models, molecular structure, structure-activity relationship, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Candida glabrata (yeast)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 55058.35

構造登録者

Paulsen, J.L.,Bendel, S.D.,Anderson, A.C. (登録日: 2011-02-03, 公開日: 2011-07-20, 最終更新日: 2023-09-13)

• 主引用文献: Paulsen, J.L.,Bendel, S.D.,Anderson, A.C.; Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity.; Chem.Biol.Drug Des., 78:505-512, 2011; PubMed: 21726415; DOI: 10.1111/j.1747-0285.2011.01169.x

実験手法

X-RAY DIFFRACTION (2.519 Å)