Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
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DOI：
10.1371/journal.pone.0197136
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发表时间：
2018
期刊：
影响因子：
3.7
通讯作者：
van den Akker F
中科院分区：
文献类型：
--
作者：
Vijayaraghavan J;Kumar V;Krishnan NP;Kaufhold RT;Zeng X;Lin J;van den Akker F
细菌可溶性溶解性转糖基酶（LT）在细胞分裂等过程中分解肽聚糖（PG）层。我们在这里提出的晶体结构的可溶性LT Cj 0843从空肠弯曲菌与和没有bulgecin A抑制剂的活性位点。Cj 0843具有与E. coliSLT70。C端催化结构域之前是L结构域、大螺旋U结构域、柔性接头和小N端NU结构域。柔性接头允许NU-结构域使用ε变形菌LT家族中保守的残基达到并完成圆形形状。Cj 0843甜甜圈的内表面大部分带正电荷，包括具有8个Arg/Lys残基的口袋。PG链的分子动力学模拟揭示了一个潜在的功能作用，这个口袋中锚定带负电荷的终端四肽的PG在几个步骤的反应，包括归巢和对齐的PG链的胞外裂解，和随后的棘轮的PG链，以提高在降解PG链的持续合成能力。
The bacterial soluble lytic transglycosylase (LT) breaks down the peptidoglycan (PG) layer during processes such as cell division. We present here crystal structures of the soluble LT Cj0843 from Campylobacter jejuni with and without bulgecin A inhibitor in the active site. Cj0843 has a doughnut shape similar but not identical to that of E. coli SLT70. The C-terminal catalytic domain is preceded by an L-domain, a large helical U-domain, a flexible linker, and a small N-terminal NU-domain. The flexible linker allows the NU-domain to reach over and complete the circular shape, using residues conserved in the Epsilonproteobacteria LT family. The inner surface of the Cj0843 doughnut is mostly positively charged including a pocket that has 8 Arg/Lys residues. Molecular dynamics simulations with PG strands revealed a potential functional role for this pocket in anchoring the negatively charged terminal tetrapeptide of the PG during several steps in the reaction including homing and aligning the PG strand for exolytic cleavage, and subsequent ratcheting of the PG strand to enhance processivity in degrading PG strands.
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影响因子：
5.6
作者：
Halgren, Thomas A.
通讯作者：
Halgren, Thomas A.
DOI：
10.1107/s0907444904019158
发表时间：
2004-12-01
影响因子：
2.2
作者：
Emsley, P;Cowtan, K
通讯作者：
Cowtan, K
影响因子：
3.2
作者：
Cloud, KA;Dillard, JP
通讯作者：
Dillard, JP
影响因子：
8
作者：
Chen, Jieming;Sawyer, Nicholas;Regan, Lynne
通讯作者：
Regan, Lynne
DOI：
10.1093/protein/15.11.871
发表时间：
2002-11-01
期刊：
PROTEIN ENGINEERING
影响因子：
--
作者：
George, RA;Heringa, J
通讯作者：
Heringa, J