2WPO

HCMV protease inhibitor complex

2WPO の概要

• エントリーDOI: 10.2210/pdb2wpo/pdb
• 関連するBIRD辞書のPRD_ID: PRD_000229
• 分子名称: HUMAN CYTOMEGALOVIRUS PROTEASE, (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide (2 entities in total)
• 機能のキーワード: viral protease, hydrolase-hydrolase inhibitor complex, coat protein, serine protease, hydrolase/hydrolase inhibitor
• 由来する生物種: Human herpesvirus 5 (Human cytomegalovirus)
• 細胞内の位置: Protease precursor: Host cytoplasm. Assemblin: Host nucleus. Assembly protein: Host nucleus: P16753
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 115553.16

構造登録者

Tong, L.,Qian, C.,Massariol, M.-J.,Deziel, R.,Yoakim, C.,Lagace, L. (登録日: 1998-08-04, 公開日: 1999-08-04, 最終更新日: 2024-11-13)

主引用文献

Tong, L.,Qian, C.,Massariol, M.J.,Deziel, R.,Yoakim, C.,Lagace, L.
Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease.
Nat.Struct.Biol., 5:819-826, 1998

PubMed Abstract: Human cytomegalovirus (HCMV) protease belongs to a new class of serine proteases, with a unique polypeptide backbone fold. The crystal structure of the protease in complex with a peptidomimetic inhibitor (based on the natural substrates and covering the P4 to P1' positions) has been determined at 2.7 A resolution. The inhibitor is bound in an extended conformation, forming an anti-parallel beta-sheet with the protease. The P3 and P1 side chains are less accessible to solvent, whereas the P4 and P2 side chains are more exposed. The inhibitor binding mode shows significant similarity to those observed for peptidomimetic inhibitors or substrates of other classes of serine proteases (chymotrypsin and subtilisin). HCMV protease therefore represents example of convergent evolution. In addition, large conformational differences relative to the structure of the free enzyme are observed, which may be important for inhibitor binding.

PubMed: 9731777
DOI: 10.1038/1860

実験手法

X-RAY DIFFRACTION (2.7 Å)