2KI5

HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION

「1KI5」から置き換えられました

2KI5 の概要

• エントリーDOI: 10.2210/pdb2ki5/pdb
• 分子名称: PROTEIN (THYMIDINE KINASE), SULFATE ION, 9-HYROXYETHOXYMETHYLGUANINE, ... (4 entities in total)
• 機能のキーワード: transferase (phosphotransferase) thymid, transferase (phosphotransferase) thymidine kinase; viridae; ds-dna enveloped viruses; herpesviridae; alphaherpesvirinae antiviral drug (aciclovir), transferase
• 由来する生物種: Human herpesvirus 1 (Herpes simplex virus type 1)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 80367.68

構造登録者

Bennett, M.S.,Wien, F.,Champness, J.N.,Batuwangala, T.,Rutherford, T.,Summers, W.C.,Sun, H.,Wright, G.,Sanderson, M.R. (登録日: 1999-02-12, 公開日: 1999-03-04, 最終更新日: 2023-08-30)

主引用文献

Bennett, M.S.,Wien, F.,Champness, J.N.,Batuwangala, T.,Rutherford, T.,Summers, W.C.,Sun, H.,Wright, G.,Sanderson, M.R.
Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443:121-125, 1999

PubMed Abstract: Treatment of herpes infections with nucleoside analogues requires as an initial step the activation of the compounds by thymidine kinase. As an aid to developing more effective chemotherapy, both for treatment of recurrent herpes infection and in gene therapy systems where thymidine kinase is expressed, two high-resolution X-ray structures of thymidine kinase have been compared: one with the relatively poor substrate aciclovir (Zovirax), the other with a synthetic inhibitor having an N2-substituted guanine. Both compounds have similar binding modes in spite of their size difference and apparently distinct ligand properties.

PubMed: 9989588
DOI: 10.1016/S0014-5793(98)01619-6

実験手法

X-RAY DIFFRACTION (1.9 Å)