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2AF6

Crystal structure of Mycobacterium tuberculosis Flavin dependent thymidylate synthase (Mtb ThyX) in the presence of co-factor FAD and substrate analog 5-Bromo-2'-Deoxyuridine-5'-Monophosphate (BrdUMP)

2AF6 の概要
エントリーDOI10.2210/pdb2af6/pdb
分子名称Thymidylate synthase thyX, IODIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... (6 entities in total)
機能のキーワードm.tuberculosis, thyx, fdts, tscp, flavin dependent thymidylate synthase, transferase
由来する生物種Mycobacterium tuberculosis
タンパク質・核酸の鎖数8
化学式量合計243699.20
構造登録者
Sampathkumar, P.,Turley, S.,Ulmer, J.E.,Rhie, H.G.,Sibley, C.H.,Hol, W.G. (登録日: 2005-07-25, 公開日: 2005-10-04, 最終更新日: 2024-10-16)
主引用文献Sampathkumar, P.,Turley, S.,Ulmer, J.E.,Rhie, H.G.,Sibley, C.H.,Hol, W.G.
Structure of the Mycobacterium tuberculosis Flavin Dependent Thymidylate Synthase (MtbThyX) at 2.0A Resolution.
J.Mol.Biol., 352:1091-1104, 2005
Cited by
PubMed Abstract: A novel flavin-dependent thymidylate synthase was identified recently as an essential gene in many archaebacteria and some pathogenic eubacteria. This enzyme, ThyX, is a potential antibacterial drug target, since humans and most eukaryotes lack the thyX gene and depend upon the conventional thymidylate synthase (TS) for their dTMP requirements. We have cloned and overexpressed the thyX gene (Rv2754c) from Mycobacterium tuberculosis in Escherichia coli. The M.tuberculosis ThyX (MtbThyX) enzyme complements the E.coli chi2913 strain that lacks its conventional TS activity. The crystal structure of the homotetrameric MtbThyX was determined in the presence of the cofactor FAD and the substrate analog, 5-bromo-2'-deoxyuridine-5'-monophosphate (BrdUMP). In the active site, which is formed by three monomers, FAD is bound in an extended conformation with the adenosine ring in a deep pocket and BrdUMP in a closed conformation near the isoalloxazine ring. Structure-based mutational studies have revealed a critical role played by residues Lys165 and Arg168 in ThyX activity, possibly by governing access to the carbon atom to be methylated of a totally buried substrate dUMP.
PubMed: 16139296
DOI: 10.1016/j.jmb.2005.07.071
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.01 Å)
構造検証レポート
Validation report summary of 2af6
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-07-23に公開中

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