MolProbity: all-atom structure validation for macromolecular crystallography

Chen, V.B.; Arendall, W.B.; Headd, J.J.; Keedy, D.A.; Immormino, R.M.; Kapral, G.J.; Murray, L.W.; Richardson, J.S.; Richardson, D.C.

doi:10.1107/S0907444909042073

Acta Crystallographica Section D
Acta Crystallographica
Section D BIOLOGICAL CRYSTALLOGRAPHY

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 3
The simple `flip' correction of a Gln side-chain amide in the 2dq4 threonine 3-dehydrogenase structure (R. Omi, T. Yao, M. Goto, I. Miyahara & K. Hirotsu, unpublished work), a better-than-average 2.5 Å resolution structure. Both orientations make a hydrogen bond to the crystallographic water, but the original has a serious internal clash of the NH₂ group with its own C^β hydrogen.

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 66| Part 1| December 2010| Pages 12-21

doi:10.1107/S0907444909042073

Follow Acta Cryst. D

Search IUCr Journals		doi		Advanced search
Author		volume	page