6JS8

Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan

6JS8 の概要

• エントリーDOI: 10.2210/pdb6js8/pdb
• 分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, DIMETHYL SULFOXIDE, ... (6 entities in total)
• 機能のキーワード: monooxygenase, oxidoreductase
• 由来する生物種: Bacillus megaterium
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 108805.73

構造登録者

Stanfield, J.K.,Kasai, C.,Sugimoto, H.,Shiro, Y.,Watanabe, Y.,Shoji, O. (登録日: 2019-04-07, 公開日: 2020-03-18, 最終更新日: 2023-11-22)

主引用文献

Stanfield, J.K.,Omura, K.,Matsumoto, A.,Kasai, C.,Sugimoto, H.,Shiro, Y.,Watanabe, Y.,Shoji, O.
Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59:7611-7618, 2020

PubMed Abstract: Despite CYP102A1 (P450BM3) representing one of the most extensively researched metalloenzymes, crystallisation of its haem domain upon modification can be a challenge. Crystal structures are indispensable for the efficient structure-based design of P450BM3 as a biocatalyst. The abietane diterpenoid derivative N-abietoyl-l-tryptophan (AbiATrp) is an outstanding crystallisation accelerator for the wild-type P450BM3 haem domain, with visible crystals forming within 2 hours and diffracting to a near-atomic resolution of 1.22 Å. Using these crystals as seeds in a cross-microseeding approach, an assortment of P450BM3 haem domain crystal structures, containing previously uncrystallisable decoy molecules and diverse artificial metalloporphyrins binding various ligand molecules, as well as heavily tagged haem-domain variants, could be determined. Some of the structures reported herein could be used as models of different stages of the P450BM3 catalytic cycle.

PubMed: 32157795
DOI: 10.1002/anie.201913407

実験手法

X-RAY DIFFRACTION (1.36 Å)