Hyper-T ATCase with novel (for wild-type apo holoenzyme) R167 conformation.  Use F0-Fc maps!
2Fo-Fc map for 6kGB looks good.

Hyper-T ATCase with novel (for wild-type apo holoenzyme) R167 conformation. Use F0-Fc maps!

Comments on a "new" ATCase Holoenzyme conformation termed the "Hyper-T" state. Conformational Plasticity of the Active Site Entrance in E. coli Aspartate Transcarbamoylase and Its Implication in Feedback Regulation

by Zhen Lei 1,Nan Wang 1,2,Hongwei Tan 1,Jimin Zheng 1,*

andZongchao Jia 3,*

The resultant Fo-Fc map reveals a problem near R167. The R167 conformation from 3CSU, first identified in our activated-state structure of the trimeric catalytic subunit of ATCase in 1998, is shown in purple. They should have realized that a hydrogen bond between a carbon of the threonine side chain and the tyrosine hydroxyl in the active site is beyond the energetic scope of "ground-state deformation". The PDB is rife with AI-related errors!


wild-type apo-form E. coli ATCase holoenzyme with an unusual open conformation of R167

要查看或添加评论,请登录

James Endrizzi的更多文章

  • Computationally Selected E. Coli Beta Carbonic Anhydrase Inhibitor

    Computationally Selected E. Coli Beta Carbonic Anhydrase Inhibitor

    A phenylalanine ring of beta carbonic anhydrase moves in response to inhibitor binding and appears to "lock up" the…

  • B-Carbonic acid Inhibitor Located

    B-Carbonic acid Inhibitor Located

    Dibromo inhibitor 3 sigma Fo-Fc contour map. Bromine posiitions were confirmed via MAD phasing.

  • Crazy, but correct

    Crazy, but correct

    Dan Koshland had issues publishing about the role of dynamics in Hexokinase function (https://www.nature.

    1 条评论
  • Covid Omicron variant model structure

    Covid Omicron variant model structure

    Increased charge on the surface likely improves interaction with moisture in the air, increasing spread of the virus.

    3 条评论

社区洞察

其他会员也浏览了