5G0P

Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN- 3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE

5G0P の概要

• エントリーDOI: 10.2210/pdb5g0p/pdb
• 関連するPDBエントリー: 5G0N 5G0O
• 分子名称: NITRIC OXIDE SYNTHASE, BRAIN, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (7 entities in total)
• 機能のキーワード: oxidoreductase, nitric oxide synthase, inhibitor complex
• 由来する生物種: RATTUS NORVEGICUS (NORWAY RAT)
• 細胞内の位置: Cell membrane, sarcolemma ; Peripheral membrane protein : P29476
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 100054.77

構造登録者

Li, H.,Poulos, T.L. (登録日: 2016-03-21, 公開日: 2016-06-15, 最終更新日: 2024-05-08)

主引用文献

Li, H.,Wang, H.,Kang, S.,Silverman, R.B.,Poulos, T.L.
Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase.
Biochemistry, 55:3702-, 2016

PubMed Abstract: Development of potent and isoform selective nitric oxide synthase (NOS) inhibitors is challenging because of the structural similarity in the heme active sites. One amino acid difference between NOS isoforms, Asp597 in rat neuronal NOS (nNOS) versus Asn368 in bovine endothelial NOS (eNOS), has been identified as the structural basis for why some dipeptide amide inhibitors bind more tightly to nNOS than to eNOS. We now have found that the same amino acid variation is responsible for substantially different binding modes and affinity for a new class of aminopyridine-based inhibitors.

PubMed: 27250740
DOI: 10.1021/ACS.BIOCHEM.6B00261

実験手法

X-RAY DIFFRACTION (2.1 Å)