3QLS
Candida albicans 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)
3QLS の概要
エントリーDOI | 10.2210/pdb3qls/pdb |
関連するPDBエントリー | 1AI9 1AOE 1IA1 1IA2 1IA3 1IA4 1M78 1M79 1M7A |
分子名称 | Putative uncharacterized protein CaJ7.0360, 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, ... (6 entities in total) |
機能のキーワード | antifungal agents, candida albicans, 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 albicans (Yeast) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 47019.15 |
構造登録者 | |
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 Cited by PubMed: 21726415DOI: 10.1111/j.1747-0285.2011.01169.x 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.733 Å) |
構造検証レポート
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