2G0L

Solution Structure of Neocarzinostatin Apo-Protein with bound Flavone

2G0L の概要

• エントリーDOI: 10.2210/pdb2g0l/pdb
• 関連するPDBエントリー: 1J5H 1J5I 2G0K
• NMR情報: BMRB: 6888
• 分子名称: NEOCARZINOSTATIN, 2-PHENYL-4H-CHROMEN-4-ONE (2 entities in total)
• 機能のキーワード: beta sandwich, igg fold, antibiotic
• 由来する生物種: Streptomyces carzinostaticus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 12449.51

構造登録者

Muskett, F.W.,Stoneman, R.G.,Caddick, S.,Woolfson, D.N. (登録日: 2006-02-13, 公開日: 2006-03-28, 最終更新日: 2024-11-13)

主引用文献

Caddick, S.,Muskett, F.W.,Stoneman, R.G.,Woolfson, D.N.
Synthetic Ligands for Apo-Neocarzinostatin
J.Am.Chem.Soc., 128:4204-4205, 2006

PubMed Abstract: Neocarzinostatin (NCS) is a 1:1 complex of an enediyne chromophore (NCSChrom), non-covalently bound to an 11 kDa protein (apoNCS). We are exploring apoNCS as a generic protein system for sequestering small molecules for therapeutic applications. Here, we disclose a new flavone ligand 1 for apoNCS and present a high-resolution NMR structure of this ligand bound to apoNCS. This is the first high-resolution structure of a completely non-cognate ligand bound to the apoNCS protein. This work provides unambiguous evidence that a completely new class of ligand can bind specifically to apoNCS. Furthermore, the mode of binding is different than that of the naphthoate-based ligands, and for such a simple hydrophobic compound, the new ligand surprisingly binds specifically. This work indicates that apo-Neocarzinostatin has multiple selective and distinct binding modes for small-molecule cargo.

PubMed: 16568976
DOI: 10.1021/ja058419i

実験手法

SOLUTION NMR